5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide

C18H14ClN3O3 — CID 11674808

IUPAC5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H14ClN3O3/c19-11-5-6-12-10(7-11)8-14(20-12)17(23)22-15-9-25-16-4-2-1-3-13(16)21-18(15)24/h1-8,15,20H,9H2,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyYZMSKDBMMTURGA-OAHLLOKOSA-N
MW355.78 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide

5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide (PubChem CID 11674808) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide
PubChem CID11674808
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H14ClN3O3/c19-11-5-6-12-10(7-11)8-14(20-12)17(23)22-15-9-25-16-4-2-1-3-13(16)21-18(15)24/h1-8,15,20H,9H2,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyYZMSKDBMMTURGA-OAHLLOKOSA-N
XLogP2.95
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-5-oxooxolan-3-yl]carbamic acid
CID 67056443
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
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
tert-butyl N-[(3R)-8-chloro-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 59362122
3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 157120124
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
1-benzyl-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]imidazole-4-carboxamide
CID 90351435
(1S,8S,9S,10S)-10-[(5-chloro-1H-indole-2-carbonyl)amino]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxylic acid
CID 59700556
2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
CID 167985786
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-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide (CID 11674808) is 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide is O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is YZMSKDBMMTURGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-11-5-6-12-10(7-11)8-14(20-12)17(23)22-15-9-25-16-4-2-1-3-13(16)21-18(15)24/h1-8,15,20H,9H2,(H,21,24)(H,22,23)/t15-/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11674808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).