2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide

C16H17ClN2O2 — CID 61118306

IUPAC2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-9-13(21-2)7-8-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyFANDURKYZNEARY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide

2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide (PubChem CID 61118306) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
PubChem CID61118306
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-9-13(21-2)7-8-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyFANDURKYZNEARY-UHFFFAOYSA-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

2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 60954752
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide (CID 61118306) is 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The InChIKey is FANDURKYZNEARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-9-13(21-2)7-8-15(14)18/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide 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 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 61118306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).