N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide

C19H20ClN3O2 — CID 56532153

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3cc(Cl)ccc3N(C)C)[nH]c2c1
InChIInChI=1S/C19H20ClN3O2/c1-4-25-14-7-5-12-9-17(21-15(12)11-14)19(24)22-16-10-13(20)6-8-18(16)23(2)3/h5-11,21H,4H2,1-3H3,(H,22,24)
InChIKeyJTTVXWAEDXQUDH-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.54
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide (PubChem CID 56532153) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
PubChem CID56532153
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3cc(Cl)ccc3N(C)C)[nH]c2c1
InChIInChI=1S/C19H20ClN3O2/c1-4-25-14-7-5-12-9-17(21-15(12)11-14)19(24)22-16-10-13(20)6-8-18(16)23(2)3/h5-11,21H,4H2,1-3H3,(H,22,24)
InChIKeyJTTVXWAEDXQUDH-UHFFFAOYSA-N
XLogP4.54
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
CID 55912733
6-ethoxy-N-[4-methyl-2-(methylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 146089109
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
CID 55337128
N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55853367
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide
CID 55947691
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide
CID 167872786
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide (CID 56532153) is N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)Nc3cc(Cl)ccc3N(C)C)[nH]c2c1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide?
The InChIKey is JTTVXWAEDXQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-25-14-7-5-12-9-17(21-15(12)11-14)19(24)22-16-10-13(20)6-8-18(16)23(2)3/h5-11,21H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 56532153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).