N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide

C16H17ClN2O2 — CID 166366125

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
SMILESCOc1cccc(C(CN)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-14-4-2-3-12(9-14)15(10-18)19-16(20)11-5-7-13(17)8-6-11/h2-9,15H,10,18H2,1H3,(H,19,20)
InChIKeyIIBWPOIZAAWVRU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.78
Rot. Bonds5

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide (PubChem CID 166366125) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
PubChem CID166366125
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
SMILESCOc1cccc(C(CN)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-14-4-2-3-12(9-14)15(10-18)19-16(20)11-5-7-13(17)8-6-11/h2-9,15H,10,18H2,1H3,(H,19,20)
InChIKeyIIBWPOIZAAWVRU-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 55879744
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide (CID 166366125) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide is COc1cccc(C(CN)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide?
The InChIKey is IIBWPOIZAAWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-14-4-2-3-12(9-14)15(10-18)19-16(20)11-5-7-13(17)8-6-11/h2-9,15H,10,18H2,1H3,(H,19,20).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide has a molecular weight of 304.78 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 166366125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).