N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide

C15H13ClN2O3 — CID 17102145

IUPACN-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-2-10-3-5-11(6-4-10)15(19)17-14-9-12(18(20)21)7-8-13(14)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeyIFAMHHPRPUCSAI-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.06
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide

N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide (PubChem CID 17102145) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
PubChem CID17102145
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-2-10-3-5-11(6-4-10)15(19)17-14-9-12(18(20)21)7-8-13(14)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeyIFAMHHPRPUCSAI-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl] propanoate
CID 17359120
N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
CID 19062952
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 38104970
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
2-chloro-N-[(4-ethylphenyl)methyl]-5-nitroaniline
CID 43718825
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide (CID 17102145) is N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide?
The InChIKey is IFAMHHPRPUCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-2-10-3-5-11(6-4-10)15(19)17-14-9-12(18(20)21)7-8-13(14)16/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide?
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide has a molecular weight of 304.73 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide is sourced from PubChem (CID 17102145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).