5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide

C19H16ClN3O2 — CID 10089456

IUPAC5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2CNC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H16ClN3O2/c20-14-5-6-15-13(7-14)9-17(22-15)19(25)23-16-8-11-3-1-2-4-12(11)10-21-18(16)24/h1-7,9,16,22H,8,10H2,(H,21,24)(H,23,25)
InChIKeyLDBLHYHCDYJBKJ-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide

5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide (PubChem CID 10089456) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
PubChem CID10089456
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2CNC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H16ClN3O2/c20-14-5-6-15-13(7-14)9-17(22-15)19(25)23-16-8-11-3-1-2-4-12(11)10-21-18(16)24/h1-7,9,16,22H,8,10H2,(H,21,24)(H,23,25)
InChIKeyLDBLHYHCDYJBKJ-UHFFFAOYSA-N
XLogP2.79
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1R,4R)-3-oxo-1-propan-2-yl-1,2,4,5-tetrahydro-2-benzazepin-4-yl]-1H-indole-2-carboxamide
CID 163415310
5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
CID 58788453
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide
CID 11674808
5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11510762
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
[(4S)-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]carbamic acid
CID 70165629
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10289029
5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11625122
(2R)-2-[(1R,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 68930958
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide (CID 10089456) is 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2CNC1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide?
The InChIKey is LDBLHYHCDYJBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-5-6-15-13(7-14)9-17(22-15)19(25)23-16-8-11-3-1-2-4-12(11)10-21-18(16)24/h1-7,9,16,22H,8,10H2,(H,21,24)(H,23,25).
What are the key properties of 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide?
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).