3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide

C12H15ClN2O — CID 112575815

IUPAC3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
SMILESCC1(C)CC1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H15ClN2O/c1-12(2)6-9(12)15-11(16)7-4-3-5-8(14)10(7)13/h3-5,9H,6,14H2,1-2H3,(H,15,16)
InChIKeyJLDLINMUCJODGW-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.45
Rot. Bonds2

About 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide

3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide (PubChem CID 112575815) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
PubChem CID112575815
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
SMILESCC1(C)CC1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H15ClN2O/c1-12(2)6-9(12)15-11(16)7-4-3-5-8(14)10(7)13/h3-5,9H,6,14H2,1-2H3,(H,15,16)
InChIKeyJLDLINMUCJODGW-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.45
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-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
CID 20670051
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
CID 55047042
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide (CID 112575815) is 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide is CC1(C)CC1NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide?
The InChIKey is JLDLINMUCJODGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2)6-9(12)15-11(16)7-4-3-5-8(14)10(7)13/h3-5,9H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide?
3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide has a molecular weight of 238.72 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide is sourced from PubChem (CID 112575815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).