N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide

C16H17ClN2O2 — CID 63229751

IUPACN-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1OC)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-19(13-6-4-5-12(18)10-13)16(20)14-8-7-11(17)9-15(14)21-2/h4-10H,3,18H2,1-2H3
InChIKeyVSWGBQUANGRIAZ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.60
Rot. Bonds4

About N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide

N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide (PubChem CID 63229751) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
PubChem CID63229751
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1OC)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-19(13-6-4-5-12(18)10-13)16(20)14-8-7-11(17)9-15(14)21-2/h4-10H,3,18H2,1-2H3
InChIKeyVSWGBQUANGRIAZ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-ethyl-2-methoxy-N-(3-methylphenyl)benzamide
CID 61104661
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
CID 115368567
5-chloro-N-ethyl-2-methoxy-N-pyridin-3-ylbenzamide
CID 56827227
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233
4-chloro-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 107735909

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide?
The IUPAC name of N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide (CID 63229751) is N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide?
The canonical SMILES for N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide is CCN(C(=O)c1ccc(Cl)cc1OC)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide?
The InChIKey is VSWGBQUANGRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-19(13-6-4-5-12(18)10-13)16(20)14-8-7-11(17)9-15(14)21-2/h4-10H,3,18H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide?
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 63229751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).