2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide

C12H15ClN2O — CID 63658050

IUPAC2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-15(7-8-5-6-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7,14H2,1H3
InChIKeyPKNMDQINDBXKPR-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide

2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide (PubChem CID 63658050) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
PubChem CID63658050
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-15(7-8-5-6-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7,14H2,1H3
InChIKeyPKNMDQINDBXKPR-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 63660209
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 63660537
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 81393986
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63659336
2-amino-6-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 55244149

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide (CID 63658050) is 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide is CN(CC1CC1)C(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide?
The InChIKey is PKNMDQINDBXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15(7-8-5-6-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7,14H2,1H3.
What are the key properties of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide?
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide has a molecular weight of 238.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide is sourced from PubChem (CID 63658050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).