N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide

C16H17ClN2O — CID 55336201

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1
InChIInChI=1S/C16H17ClN2O/c1-11-5-4-6-12(9-11)16(20)18-14-10-13(17)7-8-15(14)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyBXWIDPLBOMRGRR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.97
Rot. Bonds3

About N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide (PubChem CID 55336201) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
PubChem CID55336201
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1
InChIInChI=1S/C16H17ClN2O/c1-11-5-4-6-12(9-11)16(20)18-14-10-13(17)7-8-15(14)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyBXWIDPLBOMRGRR-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide (CID 55336201) is N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide?
The InChIKey is BXWIDPLBOMRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-5-4-6-12(9-11)16(20)18-14-10-13(17)7-8-15(14)19(2)3/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide is sourced from PubChem (CID 55336201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).