5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid

C15H19BrN2O3 — CID 62073503

IUPAC5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCC(C)N(CC1CC1)C(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C15H19BrN2O3/c1-9(2)18(8-10-3-4-10)15(21)17-13-6-5-11(16)7-12(13)14(19)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFIOLDIIVRZIEJH-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.80
Rot. Bonds5

About 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid

5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 62073503) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID62073503
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCC(C)N(CC1CC1)C(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C15H19BrN2O3/c1-9(2)18(8-10-3-4-10)15(21)17-13-6-5-11(16)7-12(13)14(19)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFIOLDIIVRZIEJH-UHFFFAOYSA-N
XLogP3.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[[ethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62072477
5-bromo-2-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073341
5-bromo-2-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 62072988
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190120
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
CID 62074315
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107796201
5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
CID 113224070
5-bromo-2-(1-cyclopropylbutan-2-ylcarbamoylamino)benzoic acid
CID 63993787
5-bromo-2-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517555
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63655148
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid (CID 62073503) is 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid is CC(C)N(CC1CC1)C(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is FIOLDIIVRZIEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9(2)18(8-10-3-4-10)15(21)17-13-6-5-11(16)7-12(13)14(19)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 355.23 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-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 62073503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).