5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide

C16H17ClN2O2 — CID 61290409

IUPAC5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-11(17)8-14(15)19-16(20)13-9-12(18)6-4-10(13)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyPGCNPSHAJRUMEN-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.88
Rot. Bonds4

About 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide

5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide (PubChem CID 61290409) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
PubChem CID61290409
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-11(17)8-14(15)19-16(20)13-9-12(18)6-4-10(13)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyPGCNPSHAJRUMEN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
CID 120638221
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61104697
ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55889019
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380454
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide (CID 61290409) is 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide is CCOc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide?
The InChIKey is PGCNPSHAJRUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-11(17)8-14(15)19-16(20)13-9-12(18)6-4-10(13)2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide?
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 61290409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).