(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide

C19H19F2NO2 — CID 97057314

IUPAC(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
SMILESO=C(C[C@H](O)c1cccc(F)c1)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C19H19F2NO2/c20-14-5-3-4-13(10-14)17(23)11-18(24)22-12-19(8-9-19)15-6-1-2-7-16(15)21/h1-7,10,17,23H,8-9,11-12H2,(H,22,24)/t17-/m0/s1
InChIKeyQPBXJNKUUWGIGO-KRWDZBQOSA-N
MW331.36 g/mol
LogP3.24
Rot. Bonds6

About (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide

(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide (PubChem CID 97057314) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
PubChem CID97057314
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
SMILESO=C(C[C@H](O)c1cccc(F)c1)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C19H19F2NO2/c20-14-5-3-4-13(10-14)17(23)11-18(24)22-12-19(8-9-19)15-6-1-2-7-16(15)21/h1-7,10,17,23H,8-9,11-12H2,(H,22,24)/t17-/m0/s1
InChIKeyQPBXJNKUUWGIGO-KRWDZBQOSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 110481809
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide
CID 166331433
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[[(3R)-3-hydroxythiolan-3-yl]methyl]urea
CID 97079912
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 84592012
(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
CID 97060933
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
The IUPAC name of (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide (CID 97057314) is (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide is O=C(C[C@H](O)c1cccc(F)c1)NCC1(c2ccccc2F)CC1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
The InChIKey is QPBXJNKUUWGIGO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-14-5-3-4-13(10-14)17(23)11-18(24)22-12-19(8-9-19)15-6-1-2-7-16(15)21/h1-7,10,17,23H,8-9,11-12H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide has a molecular weight of 331.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide is sourced from PubChem (CID 97057314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).