(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid

C15H14BrNO3 — CID 68634173

IUPAC(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H14BrNO3/c16-13-6-7-14(12(8-13)9-17-15(18)19)20-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyDAKRDXSIKLRYIZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.80
Rot. Bonds5

About (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid

(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid (PubChem CID 68634173) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
PubChem CID68634173
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H14BrNO3/c16-13-6-7-14(12(8-13)9-17-15(18)19)20-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyDAKRDXSIKLRYIZ-UHFFFAOYSA-N
XLogP3.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
CID 129163589
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 4721719
3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17058270

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid?
The IUPAC name of (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid (CID 68634173) is (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid.
What is the SMILES notation for (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid?
The canonical SMILES for (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid is O=C(O)NCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid?
The InChIKey is DAKRDXSIKLRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-13-6-7-14(12(8-13)9-17-15(18)19)20-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid?
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid has a molecular weight of 336.19 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid is sourced from PubChem (CID 68634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).