2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide

C18H20ClNO — CID 39425790

IUPAC2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C(=O)CCl)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H20ClNO/c1-13-5-4-6-16(9-13)12-20(18(21)11-19)17-10-14(2)7-8-15(17)3/h4-10H,11-12H2,1-3H3
InChIKeyHTPBPUZRVPRYJR-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide

2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 39425790) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID39425790
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C(=O)CCl)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H20ClNO/c1-13-5-4-6-16(9-13)12-20(18(21)11-19)17-10-14(2)7-8-15(17)3/h4-10H,11-12H2,1-3H3
InChIKeyHTPBPUZRVPRYJR-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.38
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-(2,3-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425799
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39380130
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
N-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3636771
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 10946730
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide (CID 39425790) is 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CN(C(=O)CCl)c2cc(C)ccc2C)c1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is HTPBPUZRVPRYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-5-4-6-16(9-13)12-20(18(21)11-19)17-10-14(2)7-8-15(17)3/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 301.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 39425790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).