N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide

C15H13IN2O2 — CID 26160460

IUPACN-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1I
InChIInChI=1S/C15H13IN2O2/c1-9-5-6-11(8-13(9)16)15(20)18-12-4-2-3-10(7-12)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyWJGCSEUQIDVJPU-UHFFFAOYSA-N
MW380.19 g/mol
LogP2.95
Rot. Bonds3

About N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide

N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide (PubChem CID 26160460) has the molecular formula C15H13IN2O2 and a molecular weight of 380.19 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
PubChem CID26160460
Molecular FormulaC15H13IN2O2
Molecular Weight380.19 g/mol
Exact Mass380.00
IUPAC NameN-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1I
InChIInChI=1S/C15H13IN2O2/c1-9-5-6-11(8-13(9)16)15(20)18-12-4-2-3-10(7-12)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyWJGCSEUQIDVJPU-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide (CID 26160460) is N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1I.
What is the InChIKey of N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide?
The InChIKey is WJGCSEUQIDVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O2/c1-9-5-6-11(8-13(9)16)15(20)18-12-4-2-3-10(7-12)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide?
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide has a molecular weight of 380.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 26160460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).