2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide

C14H12ClN3O3 — CID 63372813

IUPAC2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
SMILESCc1cccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-9-3-2-6-16-13(9)8-17-14(19)11-5-4-10(18(20)21)7-12(11)15/h2-7H,8H2,1H3,(H,17,19)
InChIKeyVQTJKMFNAJWPID-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide

2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide (PubChem CID 63372813) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
PubChem CID63372813
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
SMILESCc1cccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-9-3-2-6-16-13(9)8-17-14(19)11-5-4-10(18(20)21)7-12(11)15/h2-7H,8H2,1H3,(H,17,19)
InChIKeyVQTJKMFNAJWPID-UHFFFAOYSA-N
XLogP2.88
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitrobenzamide
CID 79832472
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 31925933
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346153
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3526771
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
2-chloro-4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17486644

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide (CID 63372813) is 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide is Cc1cccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide?
The InChIKey is VQTJKMFNAJWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-9-3-2-6-16-13(9)8-17-14(19)11-5-4-10(18(20)21)7-12(11)15/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide?
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide has a molecular weight of 305.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 63372813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).