propan-2-yl N-(3-chloro-4-formylphenyl)carbamate

C11H12ClNO3 — CID 12553757

IUPACpropan-2-yl N-(3-chloro-4-formylphenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C11H12ClNO3/c1-7(2)16-11(15)13-9-4-3-8(6-14)10(12)5-9/h3-7H,1-2H3,(H,13,15)
InChIKeyCXHFUSVFHWBQMT-UHFFFAOYSA-N
MW241.67 g/mol
LogP3.11
Rot. Bonds3

About propan-2-yl N-(3-chloro-4-formylphenyl)carbamate

propan-2-yl N-(3-chloro-4-formylphenyl)carbamate (PubChem CID 12553757) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is propan-2-yl N-(3-chloro-4-formylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-chloro-4-formylphenyl)carbamate
PubChem CID12553757
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namepropan-2-yl N-(3-chloro-4-formylphenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C11H12ClNO3/c1-7(2)16-11(15)13-9-4-3-8(6-14)10(12)5-9/h3-7H,1-2H3,(H,13,15)
InChIKeyCXHFUSVFHWBQMT-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-formylphenyl)-3-methylurea
CID 12553770
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
[2,2,2-trichloro-1-(propan-2-yloxycarbonylamino)ethyl] N-(3,4-dichlorophenyl)carbamate
CID 71675444
[(1S)-2,2,2-trichloro-1-(propan-2-yloxycarbonylamino)ethyl] N-(3,4-dichlorophenyl)carbamate
CID 163144407
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
(2S)-2-[(3,4-dichlorophenyl)carbamoyloxy]-4-methylpentanoic acid
CID 57172176
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
propan-2-yl N-[3-amino-4-(methoxycarbonylamino)phenyl]carbamate
CID 21482981

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-chloro-4-formylphenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-chloro-4-formylphenyl)carbamate (CID 12553757) is propan-2-yl N-(3-chloro-4-formylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-chloro-4-formylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-chloro-4-formylphenyl)carbamate is CC(C)OC(=O)Nc1ccc(C=O)c(Cl)c1.
What is the InChIKey of propan-2-yl N-(3-chloro-4-formylphenyl)carbamate?
The InChIKey is CXHFUSVFHWBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7(2)16-11(15)13-9-4-3-8(6-14)10(12)5-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of propan-2-yl N-(3-chloro-4-formylphenyl)carbamate?
propan-2-yl N-(3-chloro-4-formylphenyl)carbamate has a molecular weight of 241.67 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-chloro-4-formylphenyl)carbamate is sourced from PubChem (CID 12553757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).