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

C16H17ClN2O2 — CID 61111701

IUPAC5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-19(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(18)7-8-14(13)17/h3-9H,10,18H2,1-2H3
InChIKeyBMJNTXPXMCDSTO-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds4

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

5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 61111701) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID61111701
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-19(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(18)7-8-14(13)17/h3-9H,10,18H2,1-2H3
InChIKeyBMJNTXPXMCDSTO-UHFFFAOYSA-N
XLogP3.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61112841
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 61111701) is 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is BMJNTXPXMCDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(18)7-8-14(13)17/h3-9H,10,18H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61111701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).