N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide

C22H26FN3O2 — CID 3222697

IUPACN-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)NC2(C(=O)NCc3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-5-11-19(12-6-16)25-21(28)26-22(13-3-2-4-14-22)20(27)24-15-17-7-9-18(23)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyCZTZRWGKJYKKAF-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.27
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide

N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 3222697) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
PubChem CID3222697
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)NC2(C(=O)NCc3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-5-11-19(12-6-16)25-21(28)26-22(13-3-2-4-14-22)20(27)24-15-17-7-9-18(23)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyCZTZRWGKJYKKAF-UHFFFAOYSA-N
XLogP4.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230448
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide
CID 134917874
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 118774705
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
CID 63765978
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide (CID 3222697) is N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)NC2(C(=O)NCc3ccc(F)cc3)CCCCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is CZTZRWGKJYKKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-5-11-19(12-6-16)25-21(28)26-22(13-3-2-4-14-22)20(27)24-15-17-7-9-18(23)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3222697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).