N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide

C21H23ClFN3O2 — CID 23826641

IUPACN-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide
SMILESO=C(NCc1ccccc1Cl)NC1CCCCC1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFN3O2/c22-17-6-2-1-5-15(17)13-24-21(28)26-19-8-4-3-7-18(19)25-20(27)14-9-11-16(23)12-10-14/h1-2,5-6,9-12,18-19H,3-4,7-8,13H2,(H,25,27)(H2,24,26,28)
InChIKeyOEZYUIVGIZXCEA-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.02
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide

N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide (PubChem CID 23826641) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide
PubChem CID23826641
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide
SMILESO=C(NCc1ccccc1Cl)NC1CCCCC1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFN3O2/c22-17-6-2-1-5-15(17)13-24-21(28)26-19-8-4-3-7-18(19)25-20(27)14-9-11-16(23)12-10-14/h1-2,5-6,9-12,18-19H,3-4,7-8,13H2,(H,25,27)(H2,24,26,28)
InChIKeyOEZYUIVGIZXCEA-UHFFFAOYSA-N
XLogP4.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide
CID 23761302
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
1-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819874
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907964
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide (CID 23826641) is N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide is O=C(NCc1ccccc1Cl)NC1CCCCC1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide?
The InChIKey is OEZYUIVGIZXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-17-6-2-1-5-15(17)13-24-21(28)26-19-8-4-3-7-18(19)25-20(27)14-9-11-16(23)12-10-14/h1-2,5-6,9-12,18-19H,3-4,7-8,13H2,(H,25,27)(H2,24,26,28).
What are the key properties of N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide?
N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide has a molecular weight of 403.89 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 23826641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).