4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide

C18H19ClN2O — CID 119317231

IUPAC4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-7-5-15(6-8-16)18(9-10-18)12-21-17(22)14-3-1-13(11-20)2-4-14/h1-8H,9-12,20H2,(H,21,22)
InChIKeyKUSCSPTUDMNKOD-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.26
Rot. Bonds5

About 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide

4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide (PubChem CID 119317231) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
PubChem CID119317231
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-7-5-15(6-8-16)18(9-10-18)12-21-17(22)14-3-1-13(11-20)2-4-14/h1-8H,9-12,20H2,(H,21,22)
InChIKeyKUSCSPTUDMNKOD-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
CID 138034914
4-(aminomethyl)-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119303800
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide (CID 119317231) is 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide is NCc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide?
The InChIKey is KUSCSPTUDMNKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-7-5-15(6-8-16)18(9-10-18)12-21-17(22)14-3-1-13(11-20)2-4-14/h1-8H,9-12,20H2,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide?
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide has a molecular weight of 314.82 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 119317231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).