N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide

C19H17Cl2N3O2 — CID 121401299

IUPACN-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide
SMILESNC(=O)N(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H17Cl2N3O2/c20-14-4-1-3-12(9-14)11-24(19(22)26)17(25)8-7-13-10-23-18-15(13)5-2-6-16(18)21/h1-6,9-10,23H,7-8,11H2,(H2,22,26)
InChIKeyTWAFEXGYPJSPRA-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.51
Rot. Bonds5

About N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide

N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 121401299) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide
PubChem CID121401299
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide
SMILESNC(=O)N(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H17Cl2N3O2/c20-14-4-1-3-12(9-14)11-24(19(22)26)17(25)8-7-13-10-23-18-15(13)5-2-6-16(18)21/h1-6,9-10,23H,7-8,11H2,(H2,22,26)
InChIKeyTWAFEXGYPJSPRA-UHFFFAOYSA-N
XLogP4.51
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide
CID 121401280
3-(7-chloro-1H-indol-3-yl)-N-[(3,4-difluorophenyl)methyl]-N-formylpropanamide;ethane;methanamine
CID 145099548
3-(7-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]-N-formylpropanamide;ethane;methanamine
CID 145099614
3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide
CID 145099551
1-[(3-chlorophenyl)methyl]-1-hydroxyurea
CID 134087459
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
CID 7541533
1-[2-(7-chloro-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105495625
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide (CID 121401299) is N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide is NC(=O)N(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is TWAFEXGYPJSPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-14-4-1-3-12(9-14)11-24(19(22)26)17(25)8-7-13-10-23-18-15(13)5-2-6-16(18)21/h1-6,9-10,23H,7-8,11H2,(H2,22,26).
What are the key properties of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide?
N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 390.27 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 121401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).