3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride

C16H18Cl2N2O — CID 163408497

IUPAC3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O.ClH/c17-15-3-1-2-14(10-15)13-6-4-12(5-7-13)11-19-16(20)8-9-18;/h1-7,10H,8-9,11,18H2,(H,19,20);1H
InChIKeyCMNDPWLGKBIEIK-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.39
Rot. Bonds5

About 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride

3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 163408497) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID163408497
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O.ClH/c17-15-3-1-2-14(10-15)13-6-4-12(5-7-13)11-19-16(20)8-9-18;/h1-7,10H,8-9,11,18H2,(H,19,20);1H
InChIKeyCMNDPWLGKBIEIK-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
CID 71731035
3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408539
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408499
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide
CID 110625404
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride (CID 163408497) is 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is CMNDPWLGKBIEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O.ClH/c17-15-3-1-2-14(10-15)13-6-4-12(5-7-13)11-19-16(20)8-9-18;/h1-7,10H,8-9,11,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 325.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 163408497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).