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

C11H13ClN2O — CID 16793100

IUPAC2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCC1CC1
InChIInChI=1S/C11H13ClN2O/c12-8-3-4-9(10(13)5-8)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15)
InChIKeyKXTKCIMBZMUFNK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide

2-amino-4-chloro-N-(cyclopropylmethyl)benzamide (PubChem CID 16793100) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
PubChem CID16793100
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCC1CC1
InChIInChI=1S/C11H13ClN2O/c12-8-3-4-9(10(13)5-8)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15)
InChIKeyKXTKCIMBZMUFNK-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

2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide (CID 16793100) is 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide is Nc1cc(Cl)ccc1C(=O)NCC1CC1.
What is the InChIKey of 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
The InChIKey is KXTKCIMBZMUFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-8-3-4-9(10(13)5-8)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15).
What are the key properties of 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide?
2-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 2-amino-4-chloro-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 16793100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).