3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide

C19H19ClN2O2 — CID 110439910

IUPAC3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H19ClN2O2/c1-13(23)22-17-7-2-4-14(10-17)18(24)21-12-19(8-9-19)15-5-3-6-16(20)11-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyGSXZRGDQRORNGG-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.76
Rot. Bonds5

About 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide

3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide (PubChem CID 110439910) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
PubChem CID110439910
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H19ClN2O2/c1-13(23)22-17-7-2-4-14(10-17)18(24)21-12-19(8-9-19)15-5-3-6-16(20)11-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyGSXZRGDQRORNGG-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 52737912
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46532894
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]furan-2-carboxamide
CID 110443400
3-[[[N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide
CID 111639772
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide (CID 110439910) is 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide is CC(=O)Nc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide?
The InChIKey is GSXZRGDQRORNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(23)22-17-7-2-4-14(10-17)18(24)21-12-19(8-9-19)15-5-3-6-16(20)11-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide?
3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 110439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).