7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide

C22H25ClN4O2 — CID 108791770

IUPAC7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-3-27(4-2)13-12-24-21(28)15-8-10-17(11-9-15)25-22(29)19-14-16-6-5-7-18(23)20(16)26-19/h5-11,14,26H,3-4,12-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDVPLEWUPBYTQNH-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.15
Rot. Bonds8

About 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide

7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 108791770) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
PubChem CID108791770
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-3-27(4-2)13-12-24-21(28)15-8-10-17(11-9-15)25-22(29)19-14-16-6-5-7-18(23)20(16)26-19/h5-11,14,26H,3-4,12-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDVPLEWUPBYTQNH-UHFFFAOYSA-N
XLogP4.15
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide (CID 108791770) is 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1.
What is the InChIKey of 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is DVPLEWUPBYTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-3-27(4-2)13-12-24-21(28)15-8-10-17(11-9-15)25-22(29)19-14-16-6-5-7-18(23)20(16)26-19/h5-11,14,26H,3-4,12-13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide?
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).