4-amino-N-benzyl-2-chloro-N-ethylbenzamide

C16H17ClN2O — CID 28748815

IUPAC4-amino-N-benzyl-2-chloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-9-8-13(18)10-15(14)17/h3-10H,2,11,18H2,1H3
InChIKeyDUZJJSYUKSDNML-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.58
Rot. Bonds4

About 4-amino-N-benzyl-2-chloro-N-ethylbenzamide

4-amino-N-benzyl-2-chloro-N-ethylbenzamide (PubChem CID 28748815) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-chloro-N-ethylbenzamide
PubChem CID28748815
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-amino-N-benzyl-2-chloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-9-8-13(18)10-15(14)17/h3-10H,2,11,18H2,1H3
InChIKeyDUZJJSYUKSDNML-UHFFFAOYSA-N
XLogP3.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-chloro-N-ethylbenzamide?
The IUPAC name of 4-amino-N-benzyl-2-chloro-N-ethylbenzamide (CID 28748815) is 4-amino-N-benzyl-2-chloro-N-ethylbenzamide.
What is the SMILES notation for 4-amino-N-benzyl-2-chloro-N-ethylbenzamide?
The canonical SMILES for 4-amino-N-benzyl-2-chloro-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-N-benzyl-2-chloro-N-ethylbenzamide?
The InChIKey is DUZJJSYUKSDNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-9-8-13(18)10-15(14)17/h3-10H,2,11,18H2,1H3.
What are the key properties of 4-amino-N-benzyl-2-chloro-N-ethylbenzamide?
4-amino-N-benzyl-2-chloro-N-ethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 28748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).