2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H15ClN4O — CID 63659531

IUPAC2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-17(7-9-6-16-18(2)8-9)13(19)12-10(14)4-3-5-11(12)15/h3-6,8H,7,15H2,1-2H3
InChIKeyNVXSVLGDGNFHLH-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 63659531) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID63659531
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-17(7-9-6-16-18(2)8-9)13(19)12-10(14)4-3-5-11(12)15/h3-6,8H,7,15H2,1-2H3
InChIKeyNVXSVLGDGNFHLH-UHFFFAOYSA-N
XLogP1.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 31848455
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 63659531) is 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is NVXSVLGDGNFHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17(7-9-6-16-18(2)8-9)13(19)12-10(14)4-3-5-11(12)15/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 63659531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).