2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid

C16H16BrNO2 — CID 174162605

IUPAC2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccccc1Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c17-15-7-5-12(6-8-15)11-14-4-2-1-3-13(14)9-10-18-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKeyOOPOQNXUJGZMBE-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.85
Rot. Bonds5

About 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid

2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid (PubChem CID 174162605) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid
PubChem CID174162605
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccccc1Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c17-15-7-5-12(6-8-15)11-14-4-2-1-3-13(14)9-10-18-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKeyOOPOQNXUJGZMBE-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid
CID 174162522
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
3-[2-(4-bromophenyl)ethyl]-1-phenyl-1-sulfanylurea
CID 173263614
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid (CID 174162605) is 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid is O=C(O)NCCc1ccccc1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid?
The InChIKey is OOPOQNXUJGZMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-15-7-5-12(6-8-15)11-14-4-2-1-3-13(14)9-10-18-16(19)20/h1-8,18H,9-11H2,(H,19,20).
What are the key properties of 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid?
2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid has a molecular weight of 334.21 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 174162605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).