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

C19H20ClN3O — CID 113207245

IUPAC5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H20ClN3O/c1-3-23(4-2)16-8-6-15(7-9-16)21-19(24)18-12-13-11-14(20)5-10-17(13)22-18/h5-12,22H,3-4H2,1-2H3,(H,21,24)
InChIKeyNVPRJYJWMSZYGO-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.92
Rot. Bonds5

About 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 113207245) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID113207245
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H20ClN3O/c1-3-23(4-2)16-8-6-15(7-9-16)21-19(24)18-12-13-11-14(20)5-10-17(13)22-18/h5-12,22H,3-4H2,1-2H3,(H,21,24)
InChIKeyNVPRJYJWMSZYGO-UHFFFAOYSA-N
XLogP4.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide
CID 175096540
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
CID 91404604
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
CID 55977270
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide (CID 113207245) is 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is NVPRJYJWMSZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-23(4-2)16-8-6-15(7-9-16)21-19(24)18-12-13-11-14(20)5-10-17(13)22-18/h5-12,22H,3-4H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113207245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).