2-amino-4-chloro-N-ethylbenzamide

C9H11ClN2O — CID 16778301

IUPAC2-amino-4-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H11ClN2O/c1-2-12-9(13)7-4-3-6(10)5-8(7)11/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyFEFPWPQNYWXQIB-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.67
Rot. Bonds2

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

2-amino-4-chloro-N-ethylbenzamide (PubChem CID 16778301) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-amino-4-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-ethylbenzamide
PubChem CID16778301
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-amino-4-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H11ClN2O/c1-2-12-9(13)7-4-3-6(10)5-8(7)11/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyFEFPWPQNYWXQIB-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-4-hydroxyquinoline
CID 66593
2-Amino-N-isopropylbenzamide
CID 94411
Benzamide, 5-chloro-2-(methylamino)-
CID 97387
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-Amino-N-methylbenzamide
CID 308072
7-Chloro-3H-quinazolin-4-one
CID 135416175
2-amino-N-(1-phenylethyl)benzamide
CID 2797236
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
7-Chloro-2-methylquinolin-4-ol
CID 761550
2-amino-N-benzylbenzamide
CID 230755
2-amino-N,N-diethylbenzamide
CID 10104045
2-amino-N-(4-chlorophenyl)benzamide
CID 670472

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-ethylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-ethylbenzamide (CID 16778301) is 2-amino-4-chloro-N-ethylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-ethylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-ethylbenzamide is CCNC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-ethylbenzamide?
The InChIKey is FEFPWPQNYWXQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-2-12-9(13)7-4-3-6(10)5-8(7)11/h3-5H,2,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-chloro-N-ethylbenzamide?
2-amino-4-chloro-N-ethylbenzamide has a molecular weight of 198.65 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-ethylbenzamide is sourced from PubChem (CID 16778301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).