(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate

C16H15BrN2O3 — CID 32959565

IUPAC(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate
SMILESNC(=O)NCc1ccc(C(=O)OCc2ccccc2Br)cc1
InChIInChI=1S/C16H15BrN2O3/c17-14-4-2-1-3-13(14)10-22-15(20)12-7-5-11(6-8-12)9-19-16(18)21/h1-8H,9-10H2,(H3,18,19,21)
InChIKeyUIRZNSYTESUDSM-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.97
Rot. Bonds5

About (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate

(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate (PubChem CID 32959565) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate
PubChem CID32959565
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate
SMILESNC(=O)NCc1ccc(C(=O)OCc2ccccc2Br)cc1
InChIInChI=1S/C16H15BrN2O3/c17-14-4-2-1-3-13(14)10-22-15(20)12-7-5-11(6-8-12)9-19-16(18)21/h1-8H,9-10H2,(H3,18,19,21)
InChIKeyUIRZNSYTESUDSM-UHFFFAOYSA-N
XLogP2.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-bromophenyl)methyl 4-(diethylamino)benzoate
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(2-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275099
(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
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benzhydryl 4-[(carbamoylamino)methyl]benzoate
CID 51151702
(2-bromophenyl)methyl 3-sulfanylbenzoate
CID 107019010
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 32959002
benzene;benzylurea;hydrazine
CID 68793593
(2-bromophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate (CID 32959565) is (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate is NC(=O)NCc1ccc(C(=O)OCc2ccccc2Br)cc1.
What is the InChIKey of (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is UIRZNSYTESUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-14-4-2-1-3-13(14)10-22-15(20)12-7-5-11(6-8-12)9-19-16(18)21/h1-8H,9-10H2,(H3,18,19,21).
What are the key properties of (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate?
(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 363.21 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 32959565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).