[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid

C18H16ClFN2O4 — CID 154032167

IUPAC[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCO[C@@H]1Cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc2[C@H]1NC(=O)O
InChIInChI=1S/C18H16ClFN2O4/c1-26-15-8-12-10(16(15)22-18(24)25)3-2-4-11(12)17(23)21-9-5-6-14(20)13(19)7-9/h2-7,15-16,22H,8H2,1H3,(H,21,23)(H,24,25)/t15-,16-/m1/s1
InChIKeyBEJCMANGUOOSCX-HZPDHXFCSA-N
MW378.79 g/mol
LogP3.61
Rot. Bonds4

About [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid

[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (PubChem CID 154032167) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
PubChem CID154032167
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCO[C@@H]1Cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc2[C@H]1NC(=O)O
InChIInChI=1S/C18H16ClFN2O4/c1-26-15-8-12-10(16(15)22-18(24)25)3-2-4-11(12)17(23)21-9-5-6-14(20)13(19)7-9/h2-7,15-16,22H,8H2,1H3,(H,21,23)(H,24,25)/t15-,16-/m1/s1
InChIKeyBEJCMANGUOOSCX-HZPDHXFCSA-N
XLogP3.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433551
N-(3-chloro-4-fluorophenyl)-2-methoxy-2,3-dihydro-1H-indene-4-carboxamide
CID 142433532
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamic acid;hydrochloride
CID 170305189
tert-butyl-[[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-oxidosulfanium
CID 174143013
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 151604410
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The IUPAC name of [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (CID 154032167) is [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.
What is the SMILES notation for [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The canonical SMILES for [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is CO[C@@H]1Cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc2[C@H]1NC(=O)O.
What is the InChIKey of [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The InChIKey is BEJCMANGUOOSCX-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-26-15-8-12-10(16(15)22-18(24)25)3-2-4-11(12)17(23)21-9-5-6-14(20)13(19)7-9/h2-7,15-16,22H,8H2,1H3,(H,21,23)(H,24,25)/t15-,16-/m1/s1.
What are the key properties of [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid has a molecular weight of 378.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is sourced from PubChem (CID 154032167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).