4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C16H17ClN2O2 — CID 81368815

IUPAC4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)12-5-8-15(18)14(17)9-12/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyVUROCDWQHIGIPA-JTQLQIEISA-N
MW304.78 g/mol
LogP3.42
Rot. Bonds4

About 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 81368815) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID81368815
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)12-5-8-15(18)14(17)9-12/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyVUROCDWQHIGIPA-JTQLQIEISA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.42
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-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 81368815) is 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is VUROCDWQHIGIPA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)12-5-8-15(18)14(17)9-12/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 81368815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).