N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide

C19H23ClF2N2O3 — CID 9046647

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESO=C(CC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1)NC1CC1
InChIInChI=1S/C19H23ClF2N2O3/c20-14-10-13(6-7-15(14)27-18(21)22)24-17(26)19(8-2-1-3-9-19)11-16(25)23-12-4-5-12/h6-7,10,12,18H,1-5,8-9,11H2,(H,23,25)(H,24,26)
InChIKeyBDFAETYCYYKMFO-UHFFFAOYSA-N
MW400.85 g/mol
LogP4.50
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 9046647) has the molecular formula C19H23ClF2N2O3 and a molecular weight of 400.85 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID9046647
Molecular FormulaC19H23ClF2N2O3
Molecular Weight400.85 g/mol
Exact Mass400.14
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESO=C(CC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1)NC1CC1
InChIInChI=1S/C19H23ClF2N2O3/c20-14-10-13(6-7-15(14)27-18(21)22)24-17(26)19(8-2-1-3-9-19)11-16(25)23-12-4-5-12/h6-7,10,12,18H,1-5,8-9,11H2,(H,23,25)(H,24,26)
InChIKeyBDFAETYCYYKMFO-UHFFFAOYSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
N-(4-acetamidophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 17436908
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8696473
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 63122437
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(6-oxopiperidin-2-yl)acetamide
CID 146132092
(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
CID 55460194

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 9046647) is N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide is O=C(CC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1)NC1CC1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is BDFAETYCYYKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N2O3/c20-14-10-13(6-7-15(14)27-18(21)22)24-17(26)19(8-2-1-3-9-19)11-16(25)23-12-4-5-12/h6-7,10,12,18H,1-5,8-9,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 400.85 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 9046647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).