N-(3-amino-4-chlorophenyl)butanamide

C10H13ClN2O — CID 891634

IUPACN-(3-amino-4-chlorophenyl)butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C10H13ClN2O/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyJKCHAPLJTLRQCQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.66
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)butanamide

N-(3-amino-4-chlorophenyl)butanamide (PubChem CID 891634) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)butanamide
PubChem CID891634
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(3-amino-4-chlorophenyl)butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C10H13ClN2O/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyJKCHAPLJTLRQCQ-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propanil
CID 4933
m-Aminoacetanilide
CID 7604
N-(4-Chlorophenyl)acetamide
CID 10871
N-(3-Chlorophenyl)acetamide
CID 11493
Monalide
CID 23715
p-Chloroacetoacetanilide
CID 7587
Acetoacetyl-2-chloroanilide
CID 7156
Acetamide, N-(2,5-dichlorophenyl)-
CID 17494
Acetamide, N-(2,4-dichlorophenyl)-
CID 81459
o-Chloroacetanilide
CID 10777
2,4'-Dichloroacetanilide
CID 94920
Acetamide, N-(2,6-dichlorophenyl)-
CID 28698

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)butanamide (CID 891634) is N-(3-amino-4-chlorophenyl)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)butanamide is CCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)butanamide?
The InChIKey is JKCHAPLJTLRQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-4-chlorophenyl)butanamide?
N-(3-amino-4-chlorophenyl)butanamide has a molecular weight of 212.68 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)butanamide is sourced from PubChem (CID 891634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).