ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate

C16H17BrN2O2 — CID 43703857

IUPACethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-2-21-16(20)19-15-9-7-14(8-10-15)18-11-12-3-5-13(17)6-4-12/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyPZHADZXPOFZXEQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.63
Rot. Bonds5

About ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate

ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate (PubChem CID 43703857) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
PubChem CID43703857
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Nameethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-2-21-16(20)19-15-9-7-14(8-10-15)18-11-12-3-5-13(17)6-4-12/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyPZHADZXPOFZXEQ-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[(3-amino-5-chloroanilino)methyl]phenyl]carbamate
CID 140554980
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
ethyl N-[(4-bromophenyl)carbamoylamino]carbamate
CID 2954633
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
methyl 2-[4-[(4-bromophenyl)methylamino]phenoxy]acetate
CID 43676782
ethyl N-[(4-bromophenyl)methylcarbamothioyl]carbamate
CID 71758606

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate (CID 43703857) is ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1.
What is the InChIKey of ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate?
The InChIKey is PZHADZXPOFZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-21-16(20)19-15-9-7-14(8-10-15)18-11-12-3-5-13(17)6-4-12/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate?
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate has a molecular weight of 349.23 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43703857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).