N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide

C19H19FN4O3 — CID 7548375

IUPACN-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H19FN4O3/c1-12(25)21-14-3-2-4-15(9-14)22-19(27)23-16-10-18(26)24(11-16)17-7-5-13(20)6-8-17/h2-9,16H,10-11H2,1H3,(H,21,25)(H2,22,23,27)/t16-/m0/s1
InChIKeyVOOBDEYVNLTKKD-INIZCTEOSA-N
MW370.38 g/mol
LogP2.71
Rot. Bonds4

About N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide

N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide (PubChem CID 7548375) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
PubChem CID7548375
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H19FN4O3/c1-12(25)21-14-3-2-4-15(9-14)22-19(27)23-16-10-18(26)24(11-16)17-7-5-13(20)6-8-17/h2-9,16H,10-11H2,1H3,(H,21,25)(H2,22,23,27)/t16-/m0/s1
InChIKeyVOOBDEYVNLTKKD-INIZCTEOSA-N
XLogP2.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564439
N-[3-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7552572
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
N-[3-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 18564245
N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7544617
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970352

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide (CID 7548375) is N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is VOOBDEYVNLTKKD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12(25)21-14-3-2-4-15(9-14)22-19(27)23-16-10-18(26)24(11-16)17-7-5-13(20)6-8-17/h2-9,16H,10-11H2,1H3,(H,21,25)(H2,22,23,27)/t16-/m0/s1.
What are the key properties of N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 370.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 7548375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).