3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide

C21H23FN4O2 — CID 123601463

IUPAC3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide
SMILESC[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2/c1-13(25-20(27)18(23)11-14-6-8-16(22)9-7-14)10-15-12-26(21(24)28)19-5-3-2-4-17(15)19/h2-9,12-13,18H,10-11,23H2,1H3,(H2,24,28)(H,25,27)/t13-,18+/m1/s1
InChIKeySCNIHFBFMIMUNF-ACJLOTCBSA-N
MW382.44 g/mol
LogP2.32
Rot. Bonds6

About 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide

3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide (PubChem CID 123601463) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide
PubChem CID123601463
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide
SMILESC[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2/c1-13(25-20(27)18(23)11-14-6-8-16(22)9-7-14)10-15-12-26(21(24)28)19-5-3-2-4-17(15)19/h2-9,12-13,18H,10-11,23H2,1H3,(H2,24,28)(H,25,27)/t13-,18+/m1/s1
InChIKeySCNIHFBFMIMUNF-ACJLOTCBSA-N
XLogP2.32
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate
CID 56984917
3-[(2R)-2-[[3-sulfanyl-2-(sulfanylmethyl)propanoyl]amino]propyl]indole-1-carboxylic acid
CID 57245447
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
(2S)-2-[[(2S)-2-amino-3-[1-[(2S)-2-aminopropanoyl]indol-3-yl]propanoyl]amino]-4-methylpentanoic acid
CID 56989403
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
[3,5-bis(trifluoromethyl)phenyl]methyl 3-[(2R)-2-acetamidopropyl]indole-1-carboxylate
CID 90281040
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
3-[(2R)-2-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoylamino]propyl]indole-1-carboxamide
CID 91035630

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide?
The IUPAC name of 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide (CID 123601463) is 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide.
What is the SMILES notation for 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide?
The canonical SMILES for 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide is C[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide?
The InChIKey is SCNIHFBFMIMUNF-ACJLOTCBSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13(25-20(27)18(23)11-14-6-8-16(22)9-7-14)10-15-12-26(21(24)28)19-5-3-2-4-17(15)19/h2-9,12-13,18H,10-11,23H2,1H3,(H2,24,28)(H,25,27)/t13-,18+/m1/s1.
What are the key properties of 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide?
3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide is sourced from PubChem (CID 123601463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).