3-amino-4-chloro-N-(cyclopropylmethyl)benzamide

C11H13ClN2O — CID 16795062

IUPAC3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
SMILESNc1cc(C(=O)NCC2CC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O/c12-9-4-3-8(5-10(9)13)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15)
InChIKeyRIDMQQLPYFSPCY-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.06
Rot. Bonds3

About 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide

3-amino-4-chloro-N-(cyclopropylmethyl)benzamide (PubChem CID 16795062) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
PubChem CID16795062
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
SMILESNc1cc(C(=O)NCC2CC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O/c12-9-4-3-8(5-10(9)13)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15)
InChIKeyRIDMQQLPYFSPCY-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
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

3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
4-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 61409750
4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
CID 107074297
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide
CID 23501013

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide (CID 16795062) is 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide is Nc1cc(C(=O)NCC2CC2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
The InChIKey is RIDMQQLPYFSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-4-3-8(5-10(9)13)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15).
What are the key properties of 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide has a molecular weight of 224.69 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 3-amino-4-chloro-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 16795062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).