1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea

C14H22FN3O2 — CID 110910378

IUPAC1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C14H22FN3O2/c1-4-11(9-19)17-14(20)16-8-10-5-6-13(18(2)3)12(15)7-10/h5-7,11,19H,4,8-9H2,1-3H3,(H2,16,17,20)
InChIKeyDWHFMRYXJGOFJP-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.46
Rot. Bonds6

About 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea

1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110910378) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID110910378
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C14H22FN3O2/c1-4-11(9-19)17-14(20)16-8-10-5-6-13(18(2)3)12(15)7-10/h5-7,11,19H,4,8-9H2,1-3H3,(H2,16,17,20)
InChIKeyDWHFMRYXJGOFJP-UHFFFAOYSA-N
XLogP1.46
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110922317
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
4-[[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020873
4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020693
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111414572
1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110892404
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110910380
1-(1,3-benzodioxol-5-yl)-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]urea
CID 86870507
4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290
N-[3-[[4-(dimethylamino)-3-fluorophenyl]methylcarbamoylamino]-4-fluorophenyl]acetamide
CID 86871223
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630802
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea (CID 110910378) is 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NCc1ccc(N(C)C)c(F)c1.
What is the InChIKey of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is DWHFMRYXJGOFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-4-11(9-19)17-14(20)16-8-10-5-6-13(18(2)3)12(15)7-10/h5-7,11,19H,4,8-9H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 283.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110910378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).