N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

C18H17BrFNO2 — CID 9220099

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C18H17BrFNO2/c1-12(15-4-2-3-5-16(15)19)21-18(23)11-10-17(22)13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyUCIBIDSYPFXNFC-GFCCVEGCSA-N
MW378.24 g/mol
LogP4.43
Rot. Bonds6

About N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 9220099) has the molecular formula C18H17BrFNO2 and a molecular weight of 378.24 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID9220099
Molecular FormulaC18H17BrFNO2
Molecular Weight378.24 g/mol
Exact Mass377.04
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C18H17BrFNO2/c1-12(15-4-2-3-5-16(15)19)21-18(23)11-10-17(22)13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyUCIBIDSYPFXNFC-GFCCVEGCSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[1-(2-bromophenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18111919
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 16548375
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 41134387
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 9220099) is N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is UCIBIDSYPFXNFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17BrFNO2/c1-12(15-4-2-3-5-16(15)19)21-18(23)11-10-17(22)13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 378.24 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9220099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).