2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide

C16H16ClN3O — CID 63100621

IUPAC2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCNCc2ccccc21
InChIInChI=1S/C16H16ClN3O/c17-12-5-3-7-14(15(12)16(18)21)20-9-8-19-10-11-4-1-2-6-13(11)20/h1-7,19H,8-10H2,(H2,18,21)
InChIKeySKYVRDVBAOQFBB-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide

2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide (PubChem CID 63100621) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
PubChem CID63100621
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCNCc2ccccc21
InChIInChI=1S/C16H16ClN3O/c17-12-5-3-7-14(15(12)16(18)21)20-9-8-19-10-11-4-1-2-6-13(11)20/h1-7,19H,8-10H2,(H2,18,21)
InChIKeySKYVRDVBAOQFBB-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63101108
4-chloro-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63101672
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzenesulfonamide
CID 63100541
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
2-chloro-6-(3-oxomorpholin-4-yl)benzamide
CID 165482514
N-(3-chloro-2-methylphenyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119921091
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101431
3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
CID 63101425
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 115314662
1-(5-bromo-3-chloro-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103582761
2-chloro-4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzonitrile
CID 63101593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
The IUPAC name of 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide (CID 63100621) is 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide.
What is the SMILES notation for 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
The canonical SMILES for 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide is NC(=O)c1c(Cl)cccc1N1CCNCc2ccccc21.
What is the InChIKey of 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
The InChIKey is SKYVRDVBAOQFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-5-3-7-14(15(12)16(18)21)20-9-8-19-10-11-4-1-2-6-13(11)20/h1-7,19H,8-10H2,(H2,18,21).
What are the key properties of 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide?
2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide has a molecular weight of 301.78 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide is sourced from PubChem (CID 63100621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).