1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

C20H18ClFN4O — CID 67517859

IUPAC1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.N#Cc1cc2cc(F)ccc2n1-c1ccc(CNC(=O)C2(N)CC2)cc1
InChIInChI=1S/C20H17FN4O.ClH/c21-15-3-6-18-14(9-15)10-17(11-22)25(18)16-4-1-13(2-5-16)12-24-19(26)20(23)7-8-20;/h1-6,9-10H,7-8,12,23H2,(H,24,26);1H
InChIKeyGXFGGJOCBQCOGA-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.17
Rot. Bonds4

About 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 67517859) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID67517859
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.N#Cc1cc2cc(F)ccc2n1-c1ccc(CNC(=O)C2(N)CC2)cc1
InChIInChI=1S/C20H17FN4O.ClH/c21-15-3-6-18-14(9-15)10-17(11-22)25(18)16-4-1-13(2-5-16)12-24-19(26)20(23)7-8-20;/h1-6,9-10H,7-8,12,23H2,(H,24,26);1H
InChIKeyGXFGGJOCBQCOGA-UHFFFAOYSA-N
XLogP3.17
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N'-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1,1-dicarboxamide
CID 67516962
1-amino-N-[[4-(2-cyano-4-fluoroanilino)phenyl]methyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 67541750
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 123616237
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (CID 67517859) is 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is Cl.N#Cc1cc2cc(F)ccc2n1-c1ccc(CNC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GXFGGJOCBQCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O.ClH/c21-15-3-6-18-14(9-15)10-17(11-22)25(18)16-4-1-13(2-5-16)12-24-19(26)20(23)7-8-20;/h1-6,9-10H,7-8,12,23H2,(H,24,26);1H.
What are the key properties of 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 384.84 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67517859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).