1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea

C21H20FN3O — CID 56584064

IUPAC1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESO=C(Nc1cccc(-n2cccc2)c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C21H20FN3O/c22-17-6-3-5-16(13-17)15-25(19-9-10-19)21(26)23-18-7-4-8-20(14-18)24-11-1-2-12-24/h1-8,11-14,19H,9-10,15H2,(H,23,26)
InChIKeyUAVJJPWFZZNEIJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.81
Rot. Bonds5

About 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea

1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea (PubChem CID 56584064) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
PubChem CID56584064
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESO=C(Nc1cccc(-n2cccc2)c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C21H20FN3O/c22-17-6-3-5-16(13-17)15-25(19-9-10-19)21(26)23-18-7-4-8-20(14-18)24-11-1-2-12-24/h1-8,11-14,19H,9-10,15H2,(H,23,26)
InChIKeyUAVJJPWFZZNEIJ-UHFFFAOYSA-N
XLogP4.81
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide
CID 51118701
1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703390
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
1-cyclopropyl-3-(3-fluorophenyl)-1-(2-methylsulfonylethyl)urea
CID 71844408
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732177
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
1-[(3-fluoro-5-methylphenyl)methyl]-3-(3-methylphenyl)-1-(1-propylpiperidin-4-yl)urea
CID 159712836
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 86988801
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea (CID 56584064) is 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea is O=C(Nc1cccc(-n2cccc2)c1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea?
The InChIKey is UAVJJPWFZZNEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-17-6-3-5-16(13-17)15-25(19-9-10-19)21(26)23-18-7-4-8-20(14-18)24-11-1-2-12-24/h1-8,11-14,19H,9-10,15H2,(H,23,26).
What are the key properties of 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea?
1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea has a molecular weight of 349.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 56584064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).