2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate

C18H18ClNO4 — CID 4146627

IUPAC2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)Oc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-22-16-10-17(23-2)15(9-14(16)19)20-18(21)24-13-7-6-11-4-3-5-12(11)8-13/h6-10H,3-5H2,1-2H3,(H,20,21)
InChIKeyTXCRTBJHWNQKRK-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.46
Rot. Bonds4

About 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate

2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate (PubChem CID 4146627) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
PubChem CID4146627
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)Oc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-22-16-10-17(23-2)15(9-14(16)19)20-18(21)24-13-7-6-11-4-3-5-12(11)8-13/h6-10H,3-5H2,1-2H3,(H,20,21)
InChIKeyTXCRTBJHWNQKRK-UHFFFAOYSA-N
XLogP4.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate
CID 3646188
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 3317523
N-(5-chloro-2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245994
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
2,3-dihydro-1H-inden-5-yl 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 2439835
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate (CID 4146627) is 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate is COc1cc(OC)c(NC(=O)Oc2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The InChIKey is TXCRTBJHWNQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-16-10-17(23-2)15(9-14(16)19)20-18(21)24-13-7-6-11-4-3-5-12(11)8-13/h6-10H,3-5H2,1-2H3,(H,20,21).
What are the key properties of 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate has a molecular weight of 347.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 4146627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).