N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide

C21H22FNO3 — CID 51927573

IUPACN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCOc1ccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C21H22FNO3/c1-26-18-10-6-16(7-11-18)21(15-2-3-15)23-20(25)13-12-19(24)14-4-8-17(22)9-5-14/h4-11,15,21H,2-3,12-13H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyBIRXUKCALKNPLR-OAQYLSRUSA-N
MW355.41 g/mol
LogP4.06
Rot. Bonds8

About N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 51927573) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID51927573
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCOc1ccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C21H22FNO3/c1-26-18-10-6-16(7-11-18)21(15-2-3-15)23-20(25)13-12-19(24)14-4-8-17(22)9-5-14/h4-11,15,21H,2-3,12-13H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyBIRXUKCALKNPLR-OAQYLSRUSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120686703
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550
3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 55773167
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 78829079
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55572143
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 51927573) is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide is COc1ccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is BIRXUKCALKNPLR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-26-18-10-6-16(7-11-18)21(15-2-3-15)23-20(25)13-12-19(24)14-4-8-17(22)9-5-14/h4-11,15,21H,2-3,12-13H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 355.41 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 51927573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).