(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide

C17H23FN4O2 — CID 97321215

IUPAC(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)C1
InChIInChI=1S/C17H23FN4O2/c1-2-19-17(24)22-8-7-13(10-22)20-16(23)21-15-6-4-11-3-5-12(18)9-14(11)15/h3,5,9,13,15H,2,4,6-8,10H2,1H3,(H,19,24)(H2,20,21,23)/t13-,15+/m0/s1
InChIKeyMEIMNWVMJQOFKD-DZGCQCFKSA-N
MW334.40 g/mol
LogP1.92
Rot. Bonds3

About (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide

(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide (PubChem CID 97321215) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide
PubChem CID97321215
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)C1
InChIInChI=1S/C17H23FN4O2/c1-2-19-17(24)22-8-7-13(10-22)20-16(23)21-15-6-4-11-3-5-12(18)9-14(11)15/h3,5,9,13,15H,2,4,6-8,10H2,1H3,(H,19,24)(H2,20,21,23)/t13-,15+/m0/s1
InChIKeyMEIMNWVMJQOFKD-DZGCQCFKSA-N
XLogP1.92
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438730
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 166243977
3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
CID 120638870
3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856542

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide (CID 97321215) is (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)C1.
What is the InChIKey of (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide?
The InChIKey is MEIMNWVMJQOFKD-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-2-19-17(24)22-8-7-13(10-22)20-16(23)21-15-6-4-11-3-5-12(18)9-14(11)15/h3,5,9,13,15H,2,4,6-8,10H2,1H3,(H,19,24)(H2,20,21,23)/t13-,15+/m0/s1.
What are the key properties of (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide?
(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97321215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).