(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C18H18FN3O3 — CID 97063485

IUPAC(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc([C@H](NC(=O)[C@H]2CNC(=O)N2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O3/c1-25-14-8-4-12(5-9-14)16(11-2-6-13(19)7-3-11)22-17(23)15-10-20-18(24)21-15/h2-9,15-16H,10H2,1H3,(H,22,23)(H2,20,21,24)/t15-,16-/m1/s1
InChIKeyVJNROZWYUKVPSW-HZPDHXFCSA-N
MW343.36 g/mol
LogP1.72
Rot. Bonds5

About (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97063485) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97063485
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc([C@H](NC(=O)[C@H]2CNC(=O)N2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O3/c1-25-14-8-4-12(5-9-14)16(11-2-6-13(19)7-3-11)22-17(23)15-10-20-18(24)21-15/h2-9,15-16H,10H2,1H3,(H,22,23)(H2,20,21,24)/t15-,16-/m1/s1
InChIKeyVJNROZWYUKVPSW-HZPDHXFCSA-N
XLogP1.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
CID 97070023
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417175
(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520786
(4S)-N-[(S)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520881
(4R)-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-oxoimidazolidine-4-carboxamide
CID 124856857
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
(4S)-N-[(S)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520848
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417242

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 97063485) is (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide is COc1ccc([C@H](NC(=O)[C@H]2CNC(=O)N2)c2ccc(F)cc2)cc1.
What is the InChIKey of (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is VJNROZWYUKVPSW-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-25-14-8-4-12(5-9-14)16(11-2-6-13(19)7-3-11)22-17(23)15-10-20-18(24)21-15/h2-9,15-16H,10H2,1H3,(H,22,23)(H2,20,21,24)/t15-,16-/m1/s1.
What are the key properties of (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97063485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).