N-(4-aminophenyl)-2-chloroacetamide

C8H9ClN2O — CID 17325387

IUPACN-(4-aminophenyl)-2-chloroacetamide
SMILESNc1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C8H9ClN2O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,10H2,(H,11,12)
InChIKeyLCAGAKXGPVINGX-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.45
Rot. Bonds2

About N-(4-aminophenyl)-2-chloroacetamide

N-(4-aminophenyl)-2-chloroacetamide (PubChem CID 17325387) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-chloroacetamide
PubChem CID17325387
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC NameN-(4-aminophenyl)-2-chloroacetamide
SMILESNc1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C8H9ClN2O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,10H2,(H,11,12)
InChIKeyLCAGAKXGPVINGX-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-chloro-N-[4-(1,2-dihydroxy-3-sulfanylpropyl)phenyl]acetamide
CID 170820573
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-chloroacetamide?
The IUPAC name of N-(4-aminophenyl)-2-chloroacetamide (CID 17325387) is N-(4-aminophenyl)-2-chloroacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-chloroacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-chloroacetamide is Nc1ccc(NC(=O)CCl)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-chloroacetamide?
The InChIKey is LCAGAKXGPVINGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,10H2,(H,11,12).
What are the key properties of N-(4-aminophenyl)-2-chloroacetamide?
N-(4-aminophenyl)-2-chloroacetamide has a molecular weight of 184.63 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-chloroacetamide is sourced from PubChem (CID 17325387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).