2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide

C14H15ClN2O — CID 3612016

IUPAC2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
SMILESNC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
InChIKeyABIVOOWWGYJNLV-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.12
Rot. Bonds1

About 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide

2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide (PubChem CID 3612016) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide.

Molecular Properties

Compound Name2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
PubChem CID3612016
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
SMILESNC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
InChIKeyABIVOOWWGYJNLV-UHFFFAOYSA-N
XLogP3.12
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

EX 527
CID 5113032
SU 5614
CID 6536806
(6S)-2-Chloro-5,6,7,8,9,10-hexahydro-cyclohept[b]indole-6-carboxamide
CID 914268
6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 612977
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383785
11-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383786
5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
4-chloranyl-5~{H}-cyclohepta[b]indol-10-one
CID 145704692
8,10-Dichloropaullone
CID 396572
2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 4262314
Cdk1 inhibitor
CID 5472558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide?
The IUPAC name of 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide (CID 3612016) is 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide.
What is the SMILES notation for 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide?
The canonical SMILES for 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide is NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide?
The InChIKey is ABIVOOWWGYJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18).
What are the key properties of 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide?
2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide is sourced from PubChem (CID 3612016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).