4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide

C19H28FN3O2 — CID 18152352

IUPAC4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCc1ccccc1F
InChIInChI=1S/C19H28FN3O2/c20-17-10-5-4-7-15(17)12-14-21-18(24)11-6-13-22-19(25)23-16-8-2-1-3-9-16/h4-5,7,10,16H,1-3,6,8-9,11-14H2,(H,21,24)(H2,22,23,25)
InChIKeyQSFHBTFMHAQMMJ-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.90
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide (PubChem CID 18152352) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
PubChem CID18152352
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCc1ccccc1F
InChIInChI=1S/C19H28FN3O2/c20-17-10-5-4-7-15(17)12-14-21-18(24)11-6-13-22-19(25)23-16-8-2-1-3-9-16/h4-5,7,10,16H,1-3,6,8-9,11-14H2,(H,21,24)(H2,22,23,25)
InChIKeyQSFHBTFMHAQMMJ-UHFFFAOYSA-N
XLogP2.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
CID 16614679
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
4-(cyclohexylcarbamoylamino)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]butanamide
CID 86938834

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide (CID 18152352) is 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCCc1ccccc1F.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide?
The InChIKey is QSFHBTFMHAQMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c20-17-10-5-4-7-15(17)12-14-21-18(24)11-6-13-22-19(25)23-16-8-2-1-3-9-16/h4-5,7,10,16H,1-3,6,8-9,11-14H2,(H,21,24)(H2,22,23,25).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide has a molecular weight of 349.45 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 18152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).