propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate

C10H10BrCl2NO2 — CID 107788701

IUPACpropan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H10BrCl2NO2/c1-5(2)16-10(15)14-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H,14,15)
InChIKeyOAVIMFXATUFCIC-UHFFFAOYSA-N
MW327.01 g/mol
LogP4.71
Rot. Bonds2

About propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate

propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate (PubChem CID 107788701) has the molecular formula C10H10BrCl2NO2 and a molecular weight of 327.01 g/mol. Its IUPAC name is propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
PubChem CID107788701
Molecular FormulaC10H10BrCl2NO2
Molecular Weight327.01 g/mol
Exact Mass324.93
IUPAC Namepropan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H10BrCl2NO2/c1-5(2)16-10(15)14-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H,14,15)
InChIKeyOAVIMFXATUFCIC-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.01
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
5-(4-bromo-2,3-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 114001552
(2R)-2-[(4-bromo-2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107791986
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
methyl 5-bromo-4-chloro-2-(propan-2-yloxycarbonylamino)benzoate
CID 68679468
2-(4-bromo-2,3-dichloroanilino)-5-methylbenzoic acid
CID 107791139
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
CID 114001852
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate?
The IUPAC name of propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate (CID 107788701) is propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate is CC(C)OC(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate?
The InChIKey is OAVIMFXATUFCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO2/c1-5(2)16-10(15)14-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate?
propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate has a molecular weight of 327.01 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate is sourced from PubChem (CID 107788701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).