N-benzyl-N-(2-chloroethyl)propanamide

C12H16ClNO — CID 63390961

IUPACN-benzyl-N-(2-chloroethyl)propanamide
SMILESCCC(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C12H16ClNO/c1-2-12(15)14(9-8-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyCSVCPEAELXKDCJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-N-(2-chloroethyl)propanamide

N-benzyl-N-(2-chloroethyl)propanamide (PubChem CID 63390961) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)propanamide
PubChem CID63390961
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-benzyl-N-(2-chloroethyl)propanamide
SMILESCCC(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C12H16ClNO/c1-2-12(15)14(9-8-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyCSVCPEAELXKDCJ-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
CID 112603928
N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558164
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
3-[3-[[3-phenylpropyl(propanoyl)amino]methyl]phenyl]propanoic acid
CID 59509204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)propanamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)propanamide (CID 63390961) is N-benzyl-N-(2-chloroethyl)propanamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)propanamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)propanamide is CCC(=O)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)propanamide?
The InChIKey is CSVCPEAELXKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-12(15)14(9-8-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)propanamide?
N-benzyl-N-(2-chloroethyl)propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)propanamide is sourced from PubChem (CID 63390961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).