propyl N-(3-bromophenyl)carbamate

C10H12BrNO2 — CID 19165876

IUPACpropyl N-(3-bromophenyl)carbamate
SMILESCCCOC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyXCTDBMXNXLVBDH-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.41
Rot. Bonds3

About propyl N-(3-bromophenyl)carbamate

propyl N-(3-bromophenyl)carbamate (PubChem CID 19165876) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is propyl N-(3-bromophenyl)carbamate.

Molecular Properties

Compound Namepropyl N-(3-bromophenyl)carbamate
PubChem CID19165876
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Namepropyl N-(3-bromophenyl)carbamate
SMILESCCCOC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyXCTDBMXNXLVBDH-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromophenyl)carbamoyloxy]butanoic acid
CID 154612010
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
propyl N-(3-nitrophenyl)carbamate
CID 522989
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
[3-(propoxycarbonylamino)phenyl] carbonochloridate
CID 71444163
3-(butoxycarbonylamino)benzoic acid
CID 70253445
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219

Frequently Asked Questions

What is the IUPAC name of propyl N-(3-bromophenyl)carbamate?
The IUPAC name of propyl N-(3-bromophenyl)carbamate (CID 19165876) is propyl N-(3-bromophenyl)carbamate.
What is the SMILES notation for propyl N-(3-bromophenyl)carbamate?
The canonical SMILES for propyl N-(3-bromophenyl)carbamate is CCCOC(=O)Nc1cccc(Br)c1.
What is the InChIKey of propyl N-(3-bromophenyl)carbamate?
The InChIKey is XCTDBMXNXLVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H,12,13).
What are the key properties of propyl N-(3-bromophenyl)carbamate?
propyl N-(3-bromophenyl)carbamate has a molecular weight of 258.11 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(3-bromophenyl)carbamate is sourced from PubChem (CID 19165876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).