N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide

C19H21ClF2N2O3 — CID 55827232

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H21ClF2N2O3/c20-16-10-13(7-8-17(16)27-19(21)22)23-18(25)12-24(14-4-1-2-5-14)11-15-6-3-9-26-15/h3,6-10,14,19H,1-2,4-5,11-12H2,(H,23,25)
InChIKeyLHIJQAIQEKHXBK-UHFFFAOYSA-N
MW398.84 g/mol
LogP4.92
Rot. Bonds8

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide (PubChem CID 55827232) has the molecular formula C19H21ClF2N2O3 and a molecular weight of 398.84 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
PubChem CID55827232
Molecular FormulaC19H21ClF2N2O3
Molecular Weight398.84 g/mol
Exact Mass398.12
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H21ClF2N2O3/c20-16-10-13(7-8-17(16)27-19(21)22)23-18(25)12-24(14-4-1-2-5-14)11-15-6-3-9-26-15/h3,6-10,14,19H,1-2,4-5,11-12H2,(H,23,25)
InChIKeyLHIJQAIQEKHXBK-UHFFFAOYSA-N
XLogP4.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 47056867
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 34218671
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 9046647
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24601420
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide (CID 55827232) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide is O=C(CN(Cc1ccco1)C1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
The InChIKey is LHIJQAIQEKHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N2O3/c20-16-10-13(7-8-17(16)27-19(21)22)23-18(25)12-24(14-4-1-2-5-14)11-15-6-3-9-26-15/h3,6-10,14,19H,1-2,4-5,11-12H2,(H,23,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide has a molecular weight of 398.84 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 55827232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).