3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide

C17H19ClN2O — CID 104502076

IUPAC3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-11-3-6-14(18)10-16(11)20-17(21)9-12(2)13-4-7-15(19)8-5-13/h3-8,10,12H,9,19H2,1-2H3,(H,20,21)
InChIKeyCZZUFRYTAFVULT-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.36
Rot. Bonds4

About 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide

3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide (PubChem CID 104502076) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
PubChem CID104502076
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-11-3-6-14(18)10-16(11)20-17(21)9-12(2)13-4-7-15(19)8-5-13/h3-8,10,12H,9,19H2,1-2H3,(H,20,21)
InChIKeyCZZUFRYTAFVULT-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.36
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

N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid
CID 3373131
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide (CID 104502076) is 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide is Cc1ccc(Cl)cc1NC(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide?
The InChIKey is CZZUFRYTAFVULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-3-6-14(18)10-16(11)20-17(21)9-12(2)13-4-7-15(19)8-5-13/h3-8,10,12H,9,19H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide?
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide has a molecular weight of 302.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 104502076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).