[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid

C18H18BrNO2 — CID 126616574

IUPAC[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1(c2cccc(Br)c2)CCc2ccccc2C1
InChIInChI=1S/C18H18BrNO2/c19-16-7-3-6-15(10-16)18(12-20-17(21)22)9-8-13-4-1-2-5-14(13)11-18/h1-7,10,20H,8-9,11-12H2,(H,21,22)
InChIKeyMWXWBTAMQMSFSQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.14
Rot. Bonds3

About [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid

[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid (PubChem CID 126616574) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid
PubChem CID126616574
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1(c2cccc(Br)c2)CCc2ccccc2C1
InChIInChI=1S/C18H18BrNO2/c19-16-7-3-6-15(10-16)18(12-20-17(21)22)9-8-13-4-1-2-5-14(13)11-18/h1-7,10,20H,8-9,11-12H2,(H,21,22)
InChIKeyMWXWBTAMQMSFSQ-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
N-[2-[[N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111572573
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylsulfonylbenzamide
CID 55980447
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-phenylbutanamide
CID 60526265
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
CID 56791058
4-acetyl-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52721045
N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55975233

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid?
The IUPAC name of [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid (CID 126616574) is [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid.
What is the SMILES notation for [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid?
The canonical SMILES for [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid is O=C(O)NCC1(c2cccc(Br)c2)CCc2ccccc2C1.
What is the InChIKey of [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid?
The InChIKey is MWXWBTAMQMSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-16-7-3-6-15(10-16)18(12-20-17(21)22)9-8-13-4-1-2-5-14(13)11-18/h1-7,10,20H,8-9,11-12H2,(H,21,22).
What are the key properties of [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid?
[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid has a molecular weight of 360.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid is sourced from PubChem (CID 126616574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).