ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate

C18H16ClN3O3 — CID 60515896

IUPACethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-25-18(24)21-14-7-5-13(6-8-14)20-17(23)16-9-11-3-4-12(19)10-15(11)22-16/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSGKSGDLWKYHQX-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.64
Rot. Bonds4

About ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate

ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate (PubChem CID 60515896) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
PubChem CID60515896
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Nameethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-25-18(24)21-14-7-5-13(6-8-14)20-17(23)16-9-11-3-4-12(19)10-15(11)22-16/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSGKSGDLWKYHQX-UHFFFAOYSA-N
XLogP4.64
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
CID 87018723
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate (CID 60515896) is ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
The InChIKey is KSGKSGDLWKYHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-25-18(24)21-14-7-5-13(6-8-14)20-17(23)16-9-11-3-4-12(19)10-15(11)22-16/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate has a molecular weight of 357.80 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 60515896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).