butyl N-(3-chloro-4-methoxyphenyl)carbamate

C12H16ClNO3 — CID 19174402

IUPACbutyl N-(3-chloro-4-methoxyphenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-9-5-6-11(16-2)10(13)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVSLDRQRBNWQFTF-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.70
Rot. Bonds5

About butyl N-(3-chloro-4-methoxyphenyl)carbamate

butyl N-(3-chloro-4-methoxyphenyl)carbamate (PubChem CID 19174402) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is butyl N-(3-chloro-4-methoxyphenyl)carbamate.

Molecular Properties

Compound Namebutyl N-(3-chloro-4-methoxyphenyl)carbamate
PubChem CID19174402
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namebutyl N-(3-chloro-4-methoxyphenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-9-5-6-11(16-2)10(13)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVSLDRQRBNWQFTF-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
CID 44871422
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051
2-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 795112
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 31477725
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]octanamide
CID 4958993
2-[2-(2-butoxyethoxy)ethyl]-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111821820

Frequently Asked Questions

What is the IUPAC name of butyl N-(3-chloro-4-methoxyphenyl)carbamate?
The IUPAC name of butyl N-(3-chloro-4-methoxyphenyl)carbamate (CID 19174402) is butyl N-(3-chloro-4-methoxyphenyl)carbamate.
What is the SMILES notation for butyl N-(3-chloro-4-methoxyphenyl)carbamate?
The canonical SMILES for butyl N-(3-chloro-4-methoxyphenyl)carbamate is CCCCOC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of butyl N-(3-chloro-4-methoxyphenyl)carbamate?
The InChIKey is VSLDRQRBNWQFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-9-5-6-11(16-2)10(13)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of butyl N-(3-chloro-4-methoxyphenyl)carbamate?
butyl N-(3-chloro-4-methoxyphenyl)carbamate has a molecular weight of 257.72 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-chloro-4-methoxyphenyl)carbamate is sourced from PubChem (CID 19174402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).