4-chloro-N-[3-(dimethylamino)phenyl]benzamide

C15H15ClN2O — CID 2310755

IUPAC4-chloro-N-[3-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O/c1-18(2)14-5-3-4-13(10-14)17-15(19)11-6-8-12(16)9-7-11/h3-10H,1-2H3,(H,17,19)
InChIKeyAJBFDLBTLQFTRL-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.66
Rot. Bonds3

About 4-chloro-N-[3-(dimethylamino)phenyl]benzamide

4-chloro-N-[3-(dimethylamino)phenyl]benzamide (PubChem CID 2310755) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylamino)phenyl]benzamide
PubChem CID2310755
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-N-[3-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O/c1-18(2)14-5-3-4-13(10-14)17-15(19)11-6-8-12(16)9-7-11/h3-10H,1-2H3,(H,17,19)
InChIKeyAJBFDLBTLQFTRL-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115377777
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
CID 108796869
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(dimethylamino)phenyl]benzamide (CID 2310755) is 4-chloro-N-[3-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(dimethylamino)phenyl]benzamide is CN(C)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The InChIKey is AJBFDLBTLQFTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(2)14-5-3-4-13(10-14)17-15(19)11-6-8-12(16)9-7-11/h3-10H,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[3-(dimethylamino)phenyl]benzamide?
4-chloro-N-[3-(dimethylamino)phenyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 2310755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).