2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid

C15H19BrN2O3 — CID 114880085

IUPAC2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
SMILESNC(=O)c1c(Br)cccc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H19BrN2O3/c16-10-7-4-8-11(12(10)14(17)19)18-13(15(20)21)9-5-2-1-3-6-9/h4,7-9,13,18H,1-3,5-6H2,(H2,17,19)(H,20,21)
InChIKeyMHGFKEGTWPWIMO-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.99
Rot. Bonds5

About 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid

2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid (PubChem CID 114880085) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
PubChem CID114880085
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
SMILESNC(=O)c1c(Br)cccc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H19BrN2O3/c16-10-7-4-8-11(12(10)14(17)19)18-13(15(20)21)9-5-2-1-3-6-9/h4,7-9,13,18H,1-3,5-6H2,(H2,17,19)(H,20,21)
InChIKeyMHGFKEGTWPWIMO-UHFFFAOYSA-N
XLogP2.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
2-bromo-6-[2-(cycloheptylamino)ethylamino]benzamide
CID 114884984
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
2-(3-bromo-2-carbamoylanilino)-3-methylbutanoic acid
CID 114880109
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
2-cyclohexyl-2-(2-methyl-3-nitroanilino)acetic acid
CID 63077083
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
CID 63586197
2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
2-cyclohexyl-2-(2-methylanilino)acetamide
CID 54892248
2-(2-bromoanilino)-2-(thiolan-3-yl)acetic acid
CID 107133026

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid?
The IUPAC name of 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid (CID 114880085) is 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid is NC(=O)c1c(Br)cccc1NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid?
The InChIKey is MHGFKEGTWPWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-10-7-4-8-11(12(10)14(17)19)18-13(15(20)21)9-5-2-1-3-6-9/h4,7-9,13,18H,1-3,5-6H2,(H2,17,19)(H,20,21).
What are the key properties of 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid?
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid has a molecular weight of 355.23 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid is sourced from PubChem (CID 114880085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).