(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide

C24H27FN6O3 — CID 25446400

IUPAC(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27FN6O3/c1-16(24(33)26-19-5-3-4-6-19)31(20-11-13-21(34-2)14-12-20)22(32)15-30-28-23(27-29-30)17-7-9-18(25)10-8-17/h7-14,16,19H,3-6,15H2,1-2H3,(H,26,33)/t16-/m1/s1
InChIKeyMWJKMWOHYOUUAJ-MRXNPFEDSA-N
MW466.52 g/mol
LogP2.97
Rot. Bonds8

About (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide

(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide (PubChem CID 25446400) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
PubChem CID25446400
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27FN6O3/c1-16(24(33)26-19-5-3-4-6-19)31(20-11-13-21(34-2)14-12-20)22(32)15-30-28-23(27-29-30)17-7-9-18(25)10-8-17/h7-14,16,19H,3-6,15H2,1-2H3,(H,26,33)/t16-/m1/s1
InChIKeyMWJKMWOHYOUUAJ-MRXNPFEDSA-N
XLogP2.97
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-methoxyphenyl)acetamide
CID 98090912
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 1142888
(2S)-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 40586575
2-(3-chloro-4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpropanamide
CID 3179866
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446231
(2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25448706
N-cyclohexyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 3354537
(2S)-N-cyclopentyl-2-(4-fluorophenyl)-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 40665250
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25312804
N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3180504
2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide
CID 3180024

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide (CID 25446400) is (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
The InChIKey is MWJKMWOHYOUUAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-16(24(33)26-19-5-3-4-6-19)31(20-11-13-21(34-2)14-12-20)22(32)15-30-28-23(27-29-30)17-7-9-18(25)10-8-17/h7-14,16,19H,3-6,15H2,1-2H3,(H,26,33)/t16-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide has a molecular weight of 466.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 25446400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).