4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide

C17H17Cl2NO — CID 43697039

IUPAC4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccccc1Cl)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-12(10-15-4-2-3-5-16(15)19)20-17(21)14-8-6-13(11-18)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyCUOPPNBJGIZKIV-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.44
Rot. Bonds5

About 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide

4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide (PubChem CID 43697039) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
PubChem CID43697039
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccccc1Cl)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-12(10-15-4-2-3-5-16(15)19)20-17(21)14-8-6-13(11-18)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyCUOPPNBJGIZKIV-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940
N-(1-chloropropan-2-yl)benzamide
CID 3683093
4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950383
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144973
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide (CID 43697039) is 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide is CC(Cc1ccccc1Cl)NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide?
The InChIKey is CUOPPNBJGIZKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(10-15-4-2-3-5-16(15)19)20-17(21)14-8-6-13(11-18)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide?
4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide has a molecular weight of 322.24 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 43697039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).