N-(2-chloroprop-2-enyl)-4-ethylbenzamide

C12H14ClNO — CID 115636471

IUPACN-(2-chloroprop-2-enyl)-4-ethylbenzamide
SMILESC=C(Cl)CNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C12H14ClNO/c1-3-10-4-6-11(7-5-10)12(15)14-8-9(2)13/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyUZGGWMUJQBYXBQ-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.73
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-4-ethylbenzamide

N-(2-chloroprop-2-enyl)-4-ethylbenzamide (PubChem CID 115636471) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-ethylbenzamide
PubChem CID115636471
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-(2-chloroprop-2-enyl)-4-ethylbenzamide
SMILESC=C(Cl)CNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C12H14ClNO/c1-3-10-4-6-11(7-5-10)12(15)14-8-9(2)13/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyUZGGWMUJQBYXBQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
CID 115636455
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
CID 115271137
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-ethylbenzamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-ethylbenzamide (CID 115636471) is N-(2-chloroprop-2-enyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-ethylbenzamide is C=C(Cl)CNC(=O)c1ccc(CC)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-ethylbenzamide?
The InChIKey is UZGGWMUJQBYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-3-10-4-6-11(7-5-10)12(15)14-8-9(2)13/h4-7H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N-(2-chloroprop-2-enyl)-4-ethylbenzamide?
N-(2-chloroprop-2-enyl)-4-ethylbenzamide has a molecular weight of 223.70 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-ethylbenzamide is sourced from PubChem (CID 115636471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).