N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

C21H22ClIN2O2 — CID 17188463

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1I
InChIInChI=1S/C21H22ClIN2O2/c1-13-7-8-14(11-19(13)23)20(26)25-16-9-10-18(22)17(12-16)21(27)24-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,24,27)(H,25,26)
InChIKeyYRZSEMURTQSYRW-UHFFFAOYSA-N
MW496.78 g/mol
LogP5.57
Rot. Bonds4

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

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (PubChem CID 17188463) has the molecular formula C21H22ClIN2O2 and a molecular weight of 496.78 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
PubChem CID17188463
Molecular FormulaC21H22ClIN2O2
Molecular Weight496.78 g/mol
Exact Mass496.04
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1I
InChIInChI=1S/C21H22ClIN2O2/c1-13-7-8-14(11-19(13)23)20(26)25-16-9-10-18(22)17(12-16)21(27)24-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,24,27)(H,25,26)
InChIKeyYRZSEMURTQSYRW-UHFFFAOYSA-N
XLogP5.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.78
LogP ≤ 55.57
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-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28587698
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17188525
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 60540482
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (CID 17188463) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1I.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The InChIKey is YRZSEMURTQSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClIN2O2/c1-13-7-8-14(11-19(13)23)20(26)25-16-9-10-18(22)17(12-16)21(27)24-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide has a molecular weight of 496.78 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is sourced from PubChem (CID 17188463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).