N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide

C16H18F4N2O2 — CID 75432991

IUPACN'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H18F4N2O2/c17-11-7-12(18)16(20)10(15(11)19)8-21-13(23)5-6-14(24)22-9-3-1-2-4-9/h7,9H,1-6,8H2,(H,21,23)(H,22,24)
InChIKeyIOJZGOKBPYRGGE-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.70
Rot. Bonds6

About N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide

N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide (PubChem CID 75432991) has the molecular formula C16H18F4N2O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide
PubChem CID75432991
Molecular FormulaC16H18F4N2O2
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC NameN'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H18F4N2O2/c17-11-7-12(18)16(20)10(15(11)19)8-21-13(23)5-6-14(24)22-9-3-1-2-4-9/h7,9H,1-6,8H2,(H,21,23)(H,22,24)
InChIKeyIOJZGOKBPYRGGE-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopent-3-en-1-yl-3-[(2,3,5,6-tetrafluorophenyl)methyl]urea
CID 71919024
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810286
N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide
CID 46986234
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclohexyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815906
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclooctylbutanamide
CID 4614062
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide
CID 118764069

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide?
The IUPAC name of N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide (CID 75432991) is N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide?
The canonical SMILES for N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide is O=C(CCC(=O)NC1CCCC1)NCc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide?
The InChIKey is IOJZGOKBPYRGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O2/c17-11-7-12(18)16(20)10(15(11)19)8-21-13(23)5-6-14(24)22-9-3-1-2-4-9/h7,9H,1-6,8H2,(H,21,23)(H,22,24).
What are the key properties of N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide?
N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide has a molecular weight of 346.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide is sourced from PubChem (CID 75432991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).