4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C19H18ClIN2O2 — CID 39881157

IUPAC4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(Cl)c(I)c2)C2CC2)cc1
InChIInChI=1S/C19H18ClIN2O2/c1-22-18(24)13-4-2-12(3-5-13)11-23(15-7-8-15)19(25)14-6-9-16(20)17(21)10-14/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,24)
InChIKeyXWRCRPXDIWHWLT-UHFFFAOYSA-N
MW468.72 g/mol
LogP4.11
Rot. Bonds5

About 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 39881157) has the molecular formula C19H18ClIN2O2 and a molecular weight of 468.72 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID39881157
Molecular FormulaC19H18ClIN2O2
Molecular Weight468.72 g/mol
Exact Mass468.01
IUPAC Name4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(Cl)c(I)c2)C2CC2)cc1
InChIInChI=1S/C19H18ClIN2O2/c1-22-18(24)13-4-2-12(3-5-13)11-23(15-7-8-15)19(25)14-6-9-16(20)17(21)10-14/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,24)
InChIKeyXWRCRPXDIWHWLT-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.72
LogP ≤ 54.11
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

5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33352305
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26072826
N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 30806659
N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 33349813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 39881157) is 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CN(C(=O)c2ccc(Cl)c(I)c2)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is XWRCRPXDIWHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClIN2O2/c1-22-18(24)13-4-2-12(3-5-13)11-23(15-7-8-15)19(25)14-6-9-16(20)17(21)10-14/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 468.72 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 39881157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).