4-[(4-chloro-2-methylanilino)methyl]benzamide

C15H15ClN2O — CID 43234717

IUPAC4-[(4-chloro-2-methylanilino)methyl]benzamide
SMILESCc1cc(Cl)ccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-8-13(16)6-7-14(10)18-9-11-2-4-12(5-3-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyRDTSJVYHJHJURV-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.36
Rot. Bonds4

About 4-[(4-chloro-2-methylanilino)methyl]benzamide

4-[(4-chloro-2-methylanilino)methyl]benzamide (PubChem CID 43234717) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-2-methylanilino)methyl]benzamide
PubChem CID43234717
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-[(4-chloro-2-methylanilino)methyl]benzamide
SMILESCc1cc(Cl)ccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-8-13(16)6-7-14(10)18-9-11-2-4-12(5-3-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyRDTSJVYHJHJURV-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
4-[(4-carboxyphenyl)methylamino]-3-methylbenzoic acid
CID 65348016
4-[(4-chlorophenyl)methylamino]-3-nitrobenzamide
CID 3609422
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
CID 104589264
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylanilino)methyl]benzamide?
The IUPAC name of 4-[(4-chloro-2-methylanilino)methyl]benzamide (CID 43234717) is 4-[(4-chloro-2-methylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(4-chloro-2-methylanilino)methyl]benzamide?
The canonical SMILES for 4-[(4-chloro-2-methylanilino)methyl]benzamide is Cc1cc(Cl)ccc1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-chloro-2-methylanilino)methyl]benzamide?
The InChIKey is RDTSJVYHJHJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-8-13(16)6-7-14(10)18-9-11-2-4-12(5-3-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(4-chloro-2-methylanilino)methyl]benzamide?
4-[(4-chloro-2-methylanilino)methyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylanilino)methyl]benzamide is sourced from PubChem (CID 43234717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).