(2-bromophenyl)-cyclopropylcarbamic acid

C10H10BrNO2 — CID 174207463

IUPAC(2-bromophenyl)-cyclopropylcarbamic acid
SMILESO=C(O)N(c1ccccc1Br)C1CC1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-2-4-9(8)12(10(13)14)7-5-6-7/h1-4,7H,5-6H2,(H,13,14)
InChIKeyFVLVZAGKFKTXGW-UHFFFAOYSA-N
MW256.10 g/mol
LogP3.10
Rot. Bonds2

About (2-bromophenyl)-cyclopropylcarbamic acid

(2-bromophenyl)-cyclopropylcarbamic acid (PubChem CID 174207463) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (2-bromophenyl)-cyclopropylcarbamic acid.

Molecular Properties

Compound Name(2-bromophenyl)-cyclopropylcarbamic acid
PubChem CID174207463
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(2-bromophenyl)-cyclopropylcarbamic acid
SMILESO=C(O)N(c1ccccc1Br)C1CC1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-2-4-9(8)12(10(13)14)7-5-6-7/h1-4,7H,5-6H2,(H,13,14)
InChIKeyFVLVZAGKFKTXGW-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-(2-bromophenyl)-N-cyclobutylcarbamate
CID 150065515
cyclohexyl-(2-methylphenyl)carbamic acid
CID 151470608
4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
CID 174643908
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916
trans-(1S,2S)-2-[(2-bromophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 46930368
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
(2-bromophenyl)-(pyrrolidin-3-ylmethyl)carbamic acid
CID 121411467
chloro N-cyclopropyl-N-phenylcarbamate
CID 174185498
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
3-(3-bromo-2-carbamoyl-N-cyclopropylanilino)propanoic acid
CID 114880062
2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042642
N-[2-[benzoyl(cyclohexyl)amino]phenyl]-N-cyclohexylbenzamide
CID 171577199

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-cyclopropylcarbamic acid?
The IUPAC name of (2-bromophenyl)-cyclopropylcarbamic acid (CID 174207463) is (2-bromophenyl)-cyclopropylcarbamic acid.
What is the SMILES notation for (2-bromophenyl)-cyclopropylcarbamic acid?
The canonical SMILES for (2-bromophenyl)-cyclopropylcarbamic acid is O=C(O)N(c1ccccc1Br)C1CC1.
What is the InChIKey of (2-bromophenyl)-cyclopropylcarbamic acid?
The InChIKey is FVLVZAGKFKTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-3-1-2-4-9(8)12(10(13)14)7-5-6-7/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of (2-bromophenyl)-cyclopropylcarbamic acid?
(2-bromophenyl)-cyclopropylcarbamic acid has a molecular weight of 256.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-cyclopropylcarbamic acid is sourced from PubChem (CID 174207463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).