[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea

C16H20FN3O2 — CID 146205013

IUPAC[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1Cc2ccc(F)cc2CC[C@@H]1C1CC1
InChIInChI=1S/C16H20FN3O2/c17-13-5-3-12-9-20(15(21)8-19-16(18)22)14(10-1-2-10)6-4-11(12)7-13/h3,5,7,10,14H,1-2,4,6,8-9H2,(H3,18,19,22)/t14-/m1/s1
InChIKeyWYYJFVIBYGIQBI-CQSZACIVSA-N
MW305.35 g/mol
LogP1.55
Rot. Bonds3

About [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea

[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea (PubChem CID 146205013) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea
PubChem CID146205013
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1Cc2ccc(F)cc2CC[C@@H]1C1CC1
InChIInChI=1S/C16H20FN3O2/c17-13-5-3-12-9-20(15(21)8-19-16(18)22)14(10-1-2-10)6-4-11(12)7-13/h3,5,7,10,14H,1-2,4,6,8-9H2,(H3,18,19,22)/t14-/m1/s1
InChIKeyWYYJFVIBYGIQBI-CQSZACIVSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea with MolForge

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Related Compounds

1-[(1R)-1'-[2-[(3S)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]-3-methylurea
CID 156672597
2-bromo-1-(3-cyclopropyl-7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 146204992
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate
CID 149075992
4-[(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022954
[2-[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-2-oxoethyl]urea
CID 56892722
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705217
methyl N-[1'-[2-[(3S)-3-cyclopropyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-6-fluoro-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate
CID 146205324
(2S)-1-[2-[[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-4-oxobutan-2-yl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11545508
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 104872444

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea (CID 146205013) is [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1Cc2ccc(F)cc2CC[C@@H]1C1CC1.
What is the InChIKey of [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea?
The InChIKey is WYYJFVIBYGIQBI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-13-5-3-12-9-20(15(21)8-19-16(18)22)14(10-1-2-10)6-4-11(12)7-13/h3,5,7,10,14H,1-2,4,6,8-9H2,(H3,18,19,22)/t14-/m1/s1.
What are the key properties of [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea?
[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea has a molecular weight of 305.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]urea is sourced from PubChem (CID 146205013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).