3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide

C16H22FN3O2 — CID 42953252

IUPAC3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
SMILESNC(=O)NC(CC(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H22FN3O2/c17-13-9-5-4-8-12(13)14(20-16(18)22)10-15(21)19-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,19,21)(H3,18,20,22)
InChIKeyYKUKVKVRKPDMAJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.37
Rot. Bonds5

About 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide

3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide (PubChem CID 42953252) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
PubChem CID42953252
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
SMILESNC(=O)NC(CC(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H22FN3O2/c17-13-9-5-4-8-12(13)14(20-16(18)22)10-15(21)19-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,19,21)(H3,18,20,22)
InChIKeyYKUKVKVRKPDMAJ-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(carbamoylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-fluorophenyl)propanamide
CID 38834282
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
3-(cyclohexanecarbonylamino)-3-(2-fluorophenyl)propanoic acid
CID 166313098
3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 42959553
(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide
CID 98367833
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
CID 42953247

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide (CID 42953252) is 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide is NC(=O)NC(CC(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide?
The InChIKey is YKUKVKVRKPDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-9-5-4-8-12(13)14(20-16(18)22)10-15(21)19-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,19,21)(H3,18,20,22).
What are the key properties of 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide?
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide has a molecular weight of 307.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 42953252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).