3-bromopropyl-(3-chlorophenyl)carbamic acid

C10H11BrClNO2 — CID 57372411

IUPAC3-bromopropyl-(3-chlorophenyl)carbamic acid
SMILESO=C(O)N(CCCBr)c1cccc(Cl)c1
InChIInChI=1S/C10H11BrClNO2/c11-5-2-6-13(10(14)15)9-4-1-3-8(12)7-9/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKeySNLMKRAFMHTWIV-UHFFFAOYSA-N
MW292.56 g/mol
LogP3.61
Rot. Bonds4

About 3-bromopropyl-(3-chlorophenyl)carbamic acid

3-bromopropyl-(3-chlorophenyl)carbamic acid (PubChem CID 57372411) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 3-bromopropyl-(3-chlorophenyl)carbamic acid.

Molecular Properties

Compound Name3-bromopropyl-(3-chlorophenyl)carbamic acid
PubChem CID57372411
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name3-bromopropyl-(3-chlorophenyl)carbamic acid
SMILESO=C(O)N(CCCBr)c1cccc(Cl)c1
InChIInChI=1S/C10H11BrClNO2/c11-5-2-6-13(10(14)15)9-4-1-3-8(12)7-9/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKeySNLMKRAFMHTWIV-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl-(3-chlorophenyl)carbamic acid?
The IUPAC name of 3-bromopropyl-(3-chlorophenyl)carbamic acid (CID 57372411) is 3-bromopropyl-(3-chlorophenyl)carbamic acid.
What is the SMILES notation for 3-bromopropyl-(3-chlorophenyl)carbamic acid?
The canonical SMILES for 3-bromopropyl-(3-chlorophenyl)carbamic acid is O=C(O)N(CCCBr)c1cccc(Cl)c1.
What is the InChIKey of 3-bromopropyl-(3-chlorophenyl)carbamic acid?
The InChIKey is SNLMKRAFMHTWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c11-5-2-6-13(10(14)15)9-4-1-3-8(12)7-9/h1,3-4,7H,2,5-6H2,(H,14,15).
What are the key properties of 3-bromopropyl-(3-chlorophenyl)carbamic acid?
3-bromopropyl-(3-chlorophenyl)carbamic acid has a molecular weight of 292.56 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl-(3-chlorophenyl)carbamic acid is sourced from PubChem (CID 57372411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).