N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide

C18H16F2N4O2 — CID 167959387

IUPACN-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H16F2N4O2/c1-10(25)21-15-8-11(19)12(20)9-16(15)24-18(26)7-6-17-22-13-4-2-3-5-14(13)23-17/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyGHRRHRQDEKMGCN-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.37
Rot. Bonds5

About N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide

N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide (PubChem CID 167959387) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
PubChem CID167959387
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H16F2N4O2/c1-10(25)21-15-8-11(19)12(20)9-16(15)24-18(26)7-6-17-22-13-4-2-3-5-14(13)23-17/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyGHRRHRQDEKMGCN-UHFFFAOYSA-N
XLogP3.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
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3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
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3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
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3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
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3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340123
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide (CID 167959387) is N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide?
The InChIKey is GHRRHRQDEKMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-10(25)21-15-8-11(19)12(20)9-16(15)24-18(26)7-6-17-22-13-4-2-3-5-14(13)23-17/h2-5,8-9H,6-7H2,1H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide?
N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide has a molecular weight of 358.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 167959387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).