3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide

C17H16ClNO — CID 18153649

IUPAC3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO/c18-15-8-4-5-13(11-15)16(20)19-12-17(9-10-17)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,19,20)
InChIKeyFKXYMCHOXNHHTP-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.80
Rot. Bonds4

About 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide

3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 18153649) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID18153649
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO/c18-15-8-4-5-13(11-15)16(20)19-12-17(9-10-17)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,19,20)
InChIKeyFKXYMCHOXNHHTP-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46532894
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
CID 115456213
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 18153649) is 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is FKXYMCHOXNHHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-8-4-5-13(11-15)16(20)19-12-17(9-10-17)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,19,20).
What are the key properties of 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide?
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 285.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 18153649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).