2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide

C27H29FN4O3 — CID 60536621

IUPAC2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C27H29FN4O3/c1-18(2)15-30-27(35)22-8-4-6-10-24(22)32-25(33)17-29-21-13-11-19(12-14-21)26(34)31-16-20-7-3-5-9-23(20)28/h3-14,18,29H,15-17H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeySNZOGCAUHOKZIU-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.19
Rot. Bonds10

About 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 60536621) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID60536621
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC Name2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C27H29FN4O3/c1-18(2)15-30-27(35)22-8-4-6-10-24(22)32-25(33)17-29-21-13-11-19(12-14-21)26(34)31-16-20-7-3-5-9-23(20)28/h3-14,18,29H,15-17H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeySNZOGCAUHOKZIU-UHFFFAOYSA-N
XLogP4.19
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide
CID 55898312
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 60537365
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55896904
diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 60536621) is 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is SNZOGCAUHOKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-18(2)15-30-27(35)22-8-4-6-10-24(22)32-25(33)17-29-21-13-11-19(12-14-21)26(34)31-16-20-7-3-5-9-23(20)28/h3-14,18,29H,15-17H2,1-2H3,(H,30,35)(H,31,34)(H,32,33).
What are the key properties of 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.19, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60536621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).