N-benzyl-3-chloro-N-propylbenzamide

C17H18ClNO — CID 71026265

IUPACN-benzyl-3-chloro-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h3-10,12H,2,11,13H2,1H3
InChIKeyLVDXKKUQEBXJKX-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.39
Rot. Bonds5

About N-benzyl-3-chloro-N-propylbenzamide

N-benzyl-3-chloro-N-propylbenzamide (PubChem CID 71026265) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-propylbenzamide
PubChem CID71026265
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-benzyl-3-chloro-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h3-10,12H,2,11,13H2,1H3
InChIKeyLVDXKKUQEBXJKX-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 669182
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N-benzyl-3,5-dibromo-N-propylbenzamide
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3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide
CID 42759986
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-propylbenzamide?
The IUPAC name of N-benzyl-3-chloro-N-propylbenzamide (CID 71026265) is N-benzyl-3-chloro-N-propylbenzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-propylbenzamide?
The canonical SMILES for N-benzyl-3-chloro-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-3-chloro-N-propylbenzamide?
The InChIKey is LVDXKKUQEBXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h3-10,12H,2,11,13H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-propylbenzamide?
N-benzyl-3-chloro-N-propylbenzamide has a molecular weight of 287.79 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-propylbenzamide is sourced from PubChem (CID 71026265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).