benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate

C23H19N3O3 — CID 15224337

IUPACbenzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
SMILESO=C(Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1)OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c27-22(21-14-17-8-4-5-9-20(17)26-21)24-18-10-12-19(13-11-18)25-23(28)29-15-16-6-2-1-3-7-16/h1-14,26H,15H2,(H,24,27)(H,25,28)
InChIKeyONZYRWQLNRLPED-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.17
Rot. Bonds5

About benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate

benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate (PubChem CID 15224337) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
PubChem CID15224337
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namebenzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
SMILESO=C(Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1)OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c27-22(21-14-17-8-4-5-9-20(17)26-21)24-18-10-12-19(13-11-18)25-23(28)29-15-16-6-2-1-3-7-16/h1-14,26H,15H2,(H,24,27)(H,25,28)
InChIKeyONZYRWQLNRLPED-UHFFFAOYSA-N
XLogP5.17
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
CID 127035500
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide
CID 155552578
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
benzyl N-[1-[2-(1H-indole-2-carbonyl)hydrazinyl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 15453070
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate (CID 15224337) is benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate is O=C(Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate?
The InChIKey is ONZYRWQLNRLPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(21-14-17-8-4-5-9-20(17)26-21)24-18-10-12-19(13-11-18)25-23(28)29-15-16-6-2-1-3-7-16/h1-14,26H,15H2,(H,24,27)(H,25,28).
What are the key properties of benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate?
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate is sourced from PubChem (CID 15224337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).