5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide

C14H14ClF2N3O — CID 139371482

IUPAC5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@@H]1CCNC1)c1cc2cc(Cl)c(F)c(F)c2[nH]1
InChIInChI=1S/C14H14ClF2N3O/c15-9-3-8-4-10(20-13(8)12(17)11(9)16)14(21)19-6-7-1-2-18-5-7/h3-4,7,18,20H,1-2,5-6H2,(H,19,21)/t7-/m1/s1
InChIKeyDCWAKQVZLADEPP-SSDOTTSWSA-N
MW313.74 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide

5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 139371482) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID139371482
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@@H]1CCNC1)c1cc2cc(Cl)c(F)c(F)c2[nH]1
InChIInChI=1S/C14H14ClF2N3O/c15-9-3-8-4-10(20-13(8)12(17)11(9)16)14(21)19-6-7-1-2-18-5-7/h3-4,7,18,20H,1-2,5-6H2,(H,19,21)/t7-/m1/s1
InChIKeyDCWAKQVZLADEPP-SSDOTTSWSA-N
XLogP2.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide
CID 139371650
4,5-dibromo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 58748196
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 139371482) is 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide is O=C(NC[C@@H]1CCNC1)c1cc2cc(Cl)c(F)c(F)c2[nH]1.
What is the InChIKey of 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is DCWAKQVZLADEPP-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c15-9-3-8-4-10(20-13(8)12(17)11(9)16)14(21)19-6-7-1-2-18-5-7/h3-4,7,18,20H,1-2,5-6H2,(H,19,21)/t7-/m1/s1.
What are the key properties of 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 139371482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).