N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide

C16H15Cl2NO — CID 39443973

IUPACN-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C16H15Cl2NO/c1-12-9-14(18)7-8-15(12)19(16(20)10-17)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyNMHJMIGPCIIFIK-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.42
Rot. Bonds4

About N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide

N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 39443973) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID39443973
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C16H15Cl2NO/c1-12-9-14(18)7-8-15(12)19(16(20)10-17)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyNMHJMIGPCIIFIK-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.42
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

2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide
CID 21403865
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N,N-dibenzylacetamide
CID 30170000
2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide
CID 21403914
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
CID 69481778
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-chloro-N-(2,3-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425799
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
3-[2-[benzyl-(2-chloroacetyl)amino]phenyl]prop-2-ynyl acetate
CID 126521706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide (CID 39443973) is N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is NMHJMIGPCIIFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-12-9-14(18)7-8-15(12)19(16(20)10-17)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide?
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 308.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 39443973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).