2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide

C13H17ClN2O — CID 114098998

IUPAC2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
SMILESCCC1(CNC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C13H17ClN2O/c1-2-13(6-7-13)8-16-12(17)9-4-3-5-10(14)11(9)15/h3-5H,2,6-8,15H2,1H3,(H,16,17)
InChIKeyGPLNPTHQMVSTGU-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.84
Rot. Bonds4

About 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide

2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide (PubChem CID 114098998) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
PubChem CID114098998
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
SMILESCCC1(CNC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C13H17ClN2O/c1-2-13(6-7-13)8-16-12(17)9-4-3-5-10(14)11(9)15/h3-5H,2,6-8,15H2,1H3,(H,16,17)
InChIKeyGPLNPTHQMVSTGU-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.84
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-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
2-amino-3-chloro-N-propylbenzamide
CID 80503191
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999117
2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide (CID 114098998) is 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide is CCC1(CNC(=O)c2cccc(Cl)c2N)CC1.
What is the InChIKey of 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
The InChIKey is GPLNPTHQMVSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-13(6-7-13)8-16-12(17)9-4-3-5-10(14)11(9)15/h3-5H,2,6-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.84, 4 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-[(1-ethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114098998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).