2-amino-3-chloro-N-propylbenzamide

C10H13ClN2O — CID 80503191

IUPAC2-amino-3-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C10H13ClN2O/c1-2-6-13-10(14)7-4-3-5-8(11)9(7)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyAXXUDVMPKOIKLH-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-3-chloro-N-propylbenzamide

2-amino-3-chloro-N-propylbenzamide (PubChem CID 80503191) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-amino-3-chloro-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-propylbenzamide
PubChem CID80503191
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-amino-3-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C10H13ClN2O/c1-2-6-13-10(14)7-4-3-5-8(11)9(7)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyAXXUDVMPKOIKLH-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-propylbenzamide?
The IUPAC name of 2-amino-3-chloro-N-propylbenzamide (CID 80503191) is 2-amino-3-chloro-N-propylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-propylbenzamide?
The canonical SMILES for 2-amino-3-chloro-N-propylbenzamide is CCCNC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-propylbenzamide?
The InChIKey is AXXUDVMPKOIKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-6-13-10(14)7-4-3-5-8(11)9(7)12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-chloro-N-propylbenzamide?
2-amino-3-chloro-N-propylbenzamide has a molecular weight of 212.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-propylbenzamide is sourced from PubChem (CID 80503191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).