[6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid

C15H17Cl2N3O4 — CID 170426713

IUPAC[6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(CNC(=O)O)cc12
InChIInChI=1S/C15H17Cl2N3O4/c1-15(2,3)24-14(23)20-10-5-9(16)11(17)12-8(10)4-7(19-12)6-18-13(21)22/h4-5,18-19H,6H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKJFDKWYFAYTOSO-UHFFFAOYSA-N
MW374.22 g/mol
LogP4.59
Rot. Bonds3

About [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid

[6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid (PubChem CID 170426713) has the molecular formula C15H17Cl2N3O4 and a molecular weight of 374.22 g/mol. Its IUPAC name is [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid
PubChem CID170426713
Molecular FormulaC15H17Cl2N3O4
Molecular Weight374.22 g/mol
Exact Mass373.06
IUPAC Name[6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(CNC(=O)O)cc12
InChIInChI=1S/C15H17Cl2N3O4/c1-15(2,3)24-14(23)20-10-5-9(16)11(17)12-8(10)4-7(19-12)6-18-13(21)22/h4-5,18-19H,6H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKJFDKWYFAYTOSO-UHFFFAOYSA-N
XLogP4.59
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 8,9-dichloro-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
CID 22396667
tert-butyl 7,8-dichloro-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
CID 22397004
tert-butyl N-[2-(6-chloro-1H-indol-2-yl)ethyl]carbamate
CID 56990740
6,7-Dichloro-1,3,4,5-tetrahydro-pyrido[4,3-b]indole-2-carboxylic acid tert-butyl ester
CID 69192329
1,1-Dimethylethyl 4-(7-chloro-1H-indol-4-yl)-1-piperazinecarboxylate
CID 69537633
4-(5-Chloro-1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 69537650
tert-butyl N-[(2S)-1-(6-chloro-1H-indol-2-yl)propan-2-yl]carbamate
CID 70201704
tert-butyl 5-(3,6-dichloro-1H-indol-4-yl)-1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate
CID 150935178
2-[[2-(aminomethyl)-7-chloro-1H-indol-4-yl]amino]acetic acid
CID 155007491
Tert-butyl 6,7-dichloro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 167203083
Tert-butyl 6,7-dichloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 167203202
Tert-butyl 6,7-dichloro-4-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 167203209

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid?
The IUPAC name of [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid (CID 170426713) is [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid.
What is the SMILES notation for [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid?
The canonical SMILES for [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid is CC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(CNC(=O)O)cc12.
What is the InChIKey of [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid?
The InChIKey is KJFDKWYFAYTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O4/c1-15(2,3)24-14(23)20-10-5-9(16)11(17)12-8(10)4-7(19-12)6-18-13(21)22/h4-5,18-19H,6H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid?
[6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid has a molecular weight of 374.22 g/mol, XLogP of 4.59, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]methylcarbamic acid is sourced from PubChem (CID 170426713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).