3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide

C13H10Cl2N2O — CID 103094075

IUPAC3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1Cl)c1cccc(CCl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-8-9-3-1-4-10(7-9)13(18)17-12-11(15)5-2-6-16-12/h1-7H,8H2,(H,16,17,18)
InChIKeyBHTJCEACOYUOFF-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.73
Rot. Bonds3

About 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide

3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide (PubChem CID 103094075) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
PubChem CID103094075
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1Cl)c1cccc(CCl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-8-9-3-1-4-10(7-9)13(18)17-12-11(15)5-2-6-16-12/h1-7H,8H2,(H,16,17,18)
InChIKeyBHTJCEACOYUOFF-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
CID 43333552
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
3-(chloromethyl)-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 83078751
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
CID 103094902
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 103943463
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide (CID 103094075) is 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide is O=C(Nc1ncccc1Cl)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide?
The InChIKey is BHTJCEACOYUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-8-9-3-1-4-10(7-9)13(18)17-12-11(15)5-2-6-16-12/h1-7H,8H2,(H,16,17,18).
What are the key properties of 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide?
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide has a molecular weight of 281.14 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 103094075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).