2-amino-N-(4-butylphenyl)-5-chlorobenzamide

C17H19ClN2O — CID 43378411

IUPAC2-amino-N-(4-butylphenyl)-5-chlorobenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-11-13(18)7-10-16(15)19/h5-11H,2-4,19H2,1H3,(H,20,21)
InChIKeyLCQASAWKXBVRID-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.52
Rot. Bonds5

About 2-amino-N-(4-butylphenyl)-5-chlorobenzamide

2-amino-N-(4-butylphenyl)-5-chlorobenzamide (PubChem CID 43378411) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-N-(4-butylphenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-butylphenyl)-5-chlorobenzamide
PubChem CID43378411
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-N-(4-butylphenyl)-5-chlorobenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-11-13(18)7-10-16(15)19/h5-11H,2-4,19H2,1H3,(H,20,21)
InChIKeyLCQASAWKXBVRID-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.52
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-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butylphenyl)-5-chlorobenzamide?
The IUPAC name of 2-amino-N-(4-butylphenyl)-5-chlorobenzamide (CID 43378411) is 2-amino-N-(4-butylphenyl)-5-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(4-butylphenyl)-5-chlorobenzamide?
The canonical SMILES for 2-amino-N-(4-butylphenyl)-5-chlorobenzamide is CCCCc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1.
What is the InChIKey of 2-amino-N-(4-butylphenyl)-5-chlorobenzamide?
The InChIKey is LCQASAWKXBVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-11-13(18)7-10-16(15)19/h5-11H,2-4,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(4-butylphenyl)-5-chlorobenzamide?
2-amino-N-(4-butylphenyl)-5-chlorobenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butylphenyl)-5-chlorobenzamide is sourced from PubChem (CID 43378411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).