(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

C27H32F2N6O2 — CID 1144127

IUPAC(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCC1
InChIInChI=1S/C27H32F2N6O2/c1-18(2)15-24(27(37)30-16-19-11-13-20(28)14-12-19)35(21-7-3-4-8-21)25(36)17-34-32-26(31-33-34)22-9-5-6-10-23(22)29/h5-6,9-14,18,21,24H,3-4,7-8,15-17H2,1-2H3,(H,30,37)/t24-/m1/s1
InChIKeyGGFQAPQNJDEONU-XMMPIXPASA-N
MW510.59 g/mol
LogP4.12
Rot. Bonds10

About (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide (PubChem CID 1144127) has the molecular formula C27H32F2N6O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
PubChem CID1144127
Molecular FormulaC27H32F2N6O2
Molecular Weight510.59 g/mol
Exact Mass510.26
IUPAC Name(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCC1
InChIInChI=1S/C27H32F2N6O2/c1-18(2)15-24(27(37)30-16-19-11-13-20(28)14-12-19)35(21-7-3-4-8-21)25(36)17-34-32-26(31-33-34)22-9-5-6-10-23(22)29/h5-6,9-14,18,21,24H,3-4,7-8,15-17H2,1-2H3,(H,30,37)/t24-/m1/s1
InChIKeyGGFQAPQNJDEONU-XMMPIXPASA-N
XLogP4.12
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
CID 3190262
(2S)-2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 1144160
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
2-[(1-benzylpiperidin-4-yl)-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3262529
2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
CID 650552
N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
CID 3190185
(2R)-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144123
(2S)-N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 98088446
(2S)-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 1144209
(2S)-N-[(4-fluorophenyl)methyl]-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-thiophen-2-ylacetamide
CID 1144204
(2S)-N-benzyl-2-(4-chlorophenyl)-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
CID 1143740
2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 3190272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide (CID 1144127) is (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide is CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCC1.
What is the InChIKey of (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide?
The InChIKey is GGFQAPQNJDEONU-XMMPIXPASA-N. The full InChI is InChI=1S/C27H32F2N6O2/c1-18(2)15-24(27(37)30-16-19-11-13-20(28)14-12-19)35(21-7-3-4-8-21)25(36)17-34-32-26(31-33-34)22-9-5-6-10-23(22)29/h5-6,9-14,18,21,24H,3-4,7-8,15-17H2,1-2H3,(H,30,37)/t24-/m1/s1.
What are the key properties of (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide?
(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide has a molecular weight of 510.59 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 1144127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).