N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

C17H17IN2O2 — CID 17231812

IUPACN-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1I
InChIInChI=1S/C17H17IN2O2/c1-11-7-8-12(10-15(11)18)16(21)19-14-6-4-5-13(9-14)17(22)20(2)3/h4-10H,1-3H3,(H,19,21)
InChIKeyNBOQELDTTFPMSO-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.55
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (PubChem CID 17231812) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
PubChem CID17231812
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1I
InChIInChI=1S/C17H17IN2O2/c1-11-7-8-12(10-15(11)18)16(21)19-14-6-4-5-13(9-14)17(22)20(2)3/h4-10H,1-3H3,(H,19,21)
InChIKeyNBOQELDTTFPMSO-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (CID 17231812) is N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1I.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The InChIKey is NBOQELDTTFPMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-11-7-8-12(10-15(11)18)16(21)19-14-6-4-5-13(9-14)17(22)20(2)3/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide has a molecular weight of 408.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is sourced from PubChem (CID 17231812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).