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

C19H19ClN4O2 — CID 134002786

IUPAC5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-11(2)21-19(26)23-15-6-4-14(5-7-15)22-18(25)17-10-12-9-13(20)3-8-16(12)24-17/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyZUCITEGYIXPENE-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.60
Rot. Bonds4

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

5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 134002786) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID134002786
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-11(2)21-19(26)23-15-6-4-14(5-7-15)22-18(25)17-10-12-9-13(20)3-8-16(12)24-17/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyZUCITEGYIXPENE-UHFFFAOYSA-N
XLogP4.60
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
CID 91404604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (CID 134002786) is 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is ZUCITEGYIXPENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-11(2)21-19(26)23-15-6-4-14(5-7-15)22-18(25)17-10-12-9-13(20)3-8-16(12)24-17/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.60, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134002786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).