N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide

C20H31FN4O2 — CID 47033519

IUPACN-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide
SMILESCCC(CC)C(CNC(=O)Nc1cc(NC(C)=O)ccc1F)N1CCCC1
InChIInChI=1S/C20H31FN4O2/c1-4-15(5-2)19(25-10-6-7-11-25)13-22-20(27)24-18-12-16(23-14(3)26)8-9-17(18)21/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3,(H,23,26)(H2,22,24,27)
InChIKeyYQTCGERCYCAUGL-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.81
Rot. Bonds8

About N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide

N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide (PubChem CID 47033519) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide
PubChem CID47033519
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC NameN-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide
SMILESCCC(CC)C(CNC(=O)Nc1cc(NC(C)=O)ccc1F)N1CCCC1
InChIInChI=1S/C20H31FN4O2/c1-4-15(5-2)19(25-10-6-7-11-25)13-22-20(27)24-18-12-16(23-14(3)26)8-9-17(18)21/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3,(H,23,26)(H2,22,24,27)
InChIKeyYQTCGERCYCAUGL-UHFFFAOYSA-N
XLogP3.81
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide
CID 86988320
1-(3-ethyl-2-pyrrolidin-1-ylpentyl)-3-(4-nitrophenyl)urea
CID 42944329
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
CID 51119015
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
N-[4-fluoro-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylcarbamoylamino]phenyl]acetamide
CID 86988340
1-[(2S)-3-ethyl-2-pyrrolidin-1-ylpentyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 95637979
3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 86830681
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-[2-fluoro-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 74249456

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide (CID 47033519) is N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide is CCC(CC)C(CNC(=O)Nc1cc(NC(C)=O)ccc1F)N1CCCC1.
What is the InChIKey of N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide?
The InChIKey is YQTCGERCYCAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2/c1-4-15(5-2)19(25-10-6-7-11-25)13-22-20(27)24-18-12-16(23-14(3)26)8-9-17(18)21/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3,(H,23,26)(H2,22,24,27).
What are the key properties of N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide?
N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide has a molecular weight of 378.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 47033519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).