N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide

C16H17ClN2O2 — CID 82877628

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)ccc2C)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-10-3-5-12(17)8-13(10)16(20)19-9-11-4-6-15(21-2)14(18)7-11/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyKDMCKYWQNIMIJG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.17
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide (PubChem CID 82877628) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
PubChem CID82877628
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)ccc2C)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-10-3-5-12(17)8-13(10)16(20)19-9-11-4-6-15(21-2)14(18)7-11/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyKDMCKYWQNIMIJG-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide (CID 82877628) is N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide is COc1ccc(CNC(=O)c2cc(Cl)ccc2C)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide?
The InChIKey is KDMCKYWQNIMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-3-5-12(17)8-13(10)16(20)19-9-11-4-6-15(21-2)14(18)7-11/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82877628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).