4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride

C19H22Cl2N2O — CID 119336431

IUPAC4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
SMILESCC1CC1C(NC(=O)c1ccc(CN)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H21ClN2O.ClH/c1-12-10-17(12)18(14-6-8-16(20)9-7-14)22-19(23)15-4-2-13(11-21)3-5-15;/h2-9,12,17-18H,10-11,21H2,1H3,(H,22,23);1H
InChIKeyIUKIQPUFLNUCEL-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.35
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride (PubChem CID 119336431) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
PubChem CID119336431
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
SMILESCC1CC1C(NC(=O)c1ccc(CN)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H21ClN2O.ClH/c1-12-10-17(12)18(14-6-8-16(20)9-7-14)22-19(23)15-4-2-13(11-21)3-5-15;/h2-9,12,17-18H,10-11,21H2,1H3,(H,22,23);1H
InChIKeyIUKIQPUFLNUCEL-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide
CID 119336432
2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 120636487
2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide
CID 99846898
4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
CID 119295925
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 119806177
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 99847297

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride (CID 119336431) is 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride is CC1CC1C(NC(=O)c1ccc(CN)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride?
The InChIKey is IUKIQPUFLNUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O.ClH/c1-12-10-17(12)18(14-6-8-16(20)9-7-14)22-19(23)15-4-2-13(11-21)3-5-15;/h2-9,12,17-18H,10-11,21H2,1H3,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride has a molecular weight of 365.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119336431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).