3-amino-4-chloro-N-(2-propylphenyl)benzamide

C16H17ClN2O — CID 43703947

IUPAC3-amino-4-chloro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C16H17ClN2O/c1-2-5-11-6-3-4-7-15(11)19-16(20)12-8-9-13(17)14(18)10-12/h3-4,6-10H,2,5,18H2,1H3,(H,19,20)
InChIKeyRPEBGDYURAILOP-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.13
Rot. Bonds4

About 3-amino-4-chloro-N-(2-propylphenyl)benzamide

3-amino-4-chloro-N-(2-propylphenyl)benzamide (PubChem CID 43703947) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-propylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-propylphenyl)benzamide
PubChem CID43703947
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-4-chloro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C16H17ClN2O/c1-2-5-11-6-3-4-7-15(11)19-16(20)12-8-9-13(17)14(18)10-12/h3-4,6-10H,2,5,18H2,1H3,(H,19,20)
InChIKeyRPEBGDYURAILOP-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.13
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

2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870056
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
N-(2-propylphenyl)-3-sulfanylbenzamide
CID 107025770
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884
3,4,5-trifluoro-N-(2-propylphenyl)benzamide
CID 63188626
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078999
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-propylphenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-propylphenyl)benzamide (CID 43703947) is 3-amino-4-chloro-N-(2-propylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-propylphenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-propylphenyl)benzamide is CCCc1ccccc1NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-propylphenyl)benzamide?
The InChIKey is RPEBGDYURAILOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-5-11-6-3-4-7-15(11)19-16(20)12-8-9-13(17)14(18)10-12/h3-4,6-10H,2,5,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-chloro-N-(2-propylphenyl)benzamide?
3-amino-4-chloro-N-(2-propylphenyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-propylphenyl)benzamide is sourced from PubChem (CID 43703947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).