3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide

C16H17ClN2O — CID 102663918

IUPAC3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
SMILESCc1cc(C)cc(NCc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-10-5-11(2)7-14(6-10)19-9-13-4-3-12(16(18)20)8-15(13)17/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyRPZMIKJZFAQZBK-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide

3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide (PubChem CID 102663918) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
PubChem CID102663918
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
SMILESCc1cc(C)cc(NCc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-10-5-11(2)7-14(6-10)19-9-13-4-3-12(16(18)20)8-15(13)17/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyRPZMIKJZFAQZBK-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
CID 102663836
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
3-bromo-4-[(3,5-dimethylanilino)methyl]benzoic acid
CID 103235692
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide (CID 102663918) is 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide is Cc1cc(C)cc(NCc2ccc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide?
The InChIKey is RPZMIKJZFAQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-5-11(2)7-14(6-10)19-9-13-4-3-12(16(18)20)8-15(13)17/h3-8,19H,9H2,1-2H3,(H2,18,20).
What are the key properties of 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide?
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide is sourced from PubChem (CID 102663918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).