N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide

C18H24ClF2N3O3 — CID 18225712

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H24ClF2N3O3/c19-14-11-13(8-9-15(14)27-17(20)21)23-16(25)7-4-10-22-18(26)24-12-5-2-1-3-6-12/h8-9,11-12,17H,1-7,10H2,(H,23,25)(H2,22,24,26)
InChIKeyBYMCBDIGDCDROM-UHFFFAOYSA-N
MW403.86 g/mol
LogP4.29
Rot. Bonds8

About N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 18225712) has the molecular formula C18H24ClF2N3O3 and a molecular weight of 403.86 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID18225712
Molecular FormulaC18H24ClF2N3O3
Molecular Weight403.86 g/mol
Exact Mass403.15
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H24ClF2N3O3/c19-14-11-13(8-9-15(14)27-17(20)21)23-16(25)7-4-10-22-18(26)24-12-5-2-1-3-6-12/h8-9,11-12,17H,1-7,10H2,(H,23,25)(H2,22,24,26)
InChIKeyBYMCBDIGDCDROM-UHFFFAOYSA-N
XLogP4.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
CID 49111400
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 9046647
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
CID 55460194
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide (CID 18225712) is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide is O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is BYMCBDIGDCDROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF2N3O3/c19-14-11-13(8-9-15(14)27-17(20)21)23-16(25)7-4-10-22-18(26)24-12-5-2-1-3-6-12/h8-9,11-12,17H,1-7,10H2,(H,23,25)(H2,22,24,26).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 403.86 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 18225712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).