4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide

C16H17ClN2O2 — CID 104782528

IUPAC4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-21-15-10-12(4-7-14(15)18)16(20)19-9-8-11-2-5-13(17)6-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBDFCZMWUAUWZTE-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide

4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide (PubChem CID 104782528) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
PubChem CID104782528
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-21-15-10-12(4-7-14(15)18)16(20)19-9-8-11-2-5-13(17)6-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBDFCZMWUAUWZTE-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide (CID 104782528) is 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide?
The InChIKey is BDFCZMWUAUWZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-10-12(4-7-14(15)18)16(20)19-9-8-11-2-5-13(17)6-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide?
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 104782528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).