1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea

C14H16ClFN2O — CID 47198534

IUPAC1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1F)NC(C1CC1)C1CC1
InChIInChI=1S/C14H16ClFN2O/c15-10-2-1-3-11(12(10)16)17-14(19)18-13(8-4-5-8)9-6-7-9/h1-3,8-9,13H,4-7H2,(H2,17,18,19)
InChIKeyQVLQXOFCPSUGCM-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea

1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea (PubChem CID 47198534) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
PubChem CID47198534
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1F)NC(C1CC1)C1CC1
InChIInChI=1S/C14H16ClFN2O/c15-10-2-1-3-11(12(10)16)17-14(19)18-13(8-4-5-8)9-6-7-9/h1-3,8-9,13H,4-7H2,(H2,17,18,19)
InChIKeyQVLQXOFCPSUGCM-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 97282292
(2S)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61194258
(2R)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927583
2-(dicyclopropylmethylcarbamoylamino)benzoic acid
CID 61480864
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133061
(3-chloro-2-fluorophenyl)urea
CID 28969166
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62709327
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
N-(3-chloro-2-fluorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 112793452
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea (CID 47198534) is 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea is O=C(Nc1cccc(Cl)c1F)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea?
The InChIKey is QVLQXOFCPSUGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-10-2-1-3-11(12(10)16)17-14(19)18-13(8-4-5-8)9-6-7-9/h1-3,8-9,13H,4-7H2,(H2,17,18,19).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea?
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea has a molecular weight of 282.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea is sourced from PubChem (CID 47198534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).