N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide

C12H15ClN2O2 — CID 62728455

IUPACN-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)CCl)c1
InChIInChI=1S/C12H15ClN2O2/c1-8(7-13)12(17)15-11-5-3-4-10(6-11)14-9(2)16/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyYCINVSYNYLOWQW-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.46
Rot. Bonds4

About N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide

N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide (PubChem CID 62728455) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
PubChem CID62728455
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)CCl)c1
InChIInChI=1S/C12H15ClN2O2/c1-8(7-13)12(17)15-11-5-3-4-10(6-11)14-9(2)16/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyYCINVSYNYLOWQW-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide (CID 62728455) is N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide is CC(=O)Nc1cccc(NC(=O)C(C)CCl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide?
The InChIKey is YCINVSYNYLOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(7-13)12(17)15-11-5-3-4-10(6-11)14-9(2)16/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide?
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide has a molecular weight of 254.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide is sourced from PubChem (CID 62728455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).