4-(2-amino-4-chlorophenyl)but-3-enamide

C10H11ClN2O — CID 170797583

IUPAC4-(2-amino-4-chlorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1ccc(Cl)cc1N
InChIInChI=1S/C10H11ClN2O/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H2,13,14)
InChIKeyHJEHZHBNXURDKN-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.81
Rot. Bonds3

About 4-(2-amino-4-chlorophenyl)but-3-enamide

4-(2-amino-4-chlorophenyl)but-3-enamide (PubChem CID 170797583) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-(2-amino-4-chlorophenyl)but-3-enamide.

Molecular Properties

Compound Name4-(2-amino-4-chlorophenyl)but-3-enamide
PubChem CID170797583
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-(2-amino-4-chlorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1ccc(Cl)cc1N
InChIInChI=1S/C10H11ClN2O/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H2,13,14)
InChIKeyHJEHZHBNXURDKN-UHFFFAOYSA-N
XLogP1.81
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.81
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

4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
4-(2-amino-3,5-dichlorophenyl)but-3-enamide
CID 170797950
4-(2-amino-5-chlorophenyl)but-3-enoic acid
CID 91346863
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
methyl 3-(2-amino-4-chlorophenyl)prop-2-enoate
CID 54391756
4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
CID 170797647
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170799023
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
4-(2-chloro-3-hydroxyphenyl)but-3-enamide
CID 170797494
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chlorophenyl)but-3-enamide?
The IUPAC name of 4-(2-amino-4-chlorophenyl)but-3-enamide (CID 170797583) is 4-(2-amino-4-chlorophenyl)but-3-enamide.
What is the SMILES notation for 4-(2-amino-4-chlorophenyl)but-3-enamide?
The canonical SMILES for 4-(2-amino-4-chlorophenyl)but-3-enamide is NC(=O)CC=Cc1ccc(Cl)cc1N.
What is the InChIKey of 4-(2-amino-4-chlorophenyl)but-3-enamide?
The InChIKey is HJEHZHBNXURDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H2,13,14).
What are the key properties of 4-(2-amino-4-chlorophenyl)but-3-enamide?
4-(2-amino-4-chlorophenyl)but-3-enamide has a molecular weight of 210.66 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chlorophenyl)but-3-enamide is sourced from PubChem (CID 170797583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).