N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate

C14H11ClNO3- — CID 23451831

IUPACN-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
SMILESCc1ccc(Oc2ccc(NC(=O)[O-])cc2Cl)cc1
InChIInChI=1S/C14H12ClNO3/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)15)16-14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyKJRDCBFJZMOODU-UHFFFAOYSA-M
MW276.70 g/mol
LogP3.20
Rot. Bonds3

About N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate

N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate (PubChem CID 23451831) has the molecular formula C14H11ClNO3- and a molecular weight of 276.70 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
PubChem CID23451831
Molecular FormulaC14H11ClNO3-
Molecular Weight276.70 g/mol
Exact Mass276.04
IUPAC NameN-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
SMILESCc1ccc(Oc2ccc(NC(=O)[O-])cc2Cl)cc1
InChIInChI=1S/C14H12ClNO3/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)15)16-14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyKJRDCBFJZMOODU-UHFFFAOYSA-M
XLogP3.20
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
CID 132591036
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
S-methyl N-(3-chloro-4-phenoxyphenyl)carbamothioate
CID 12806991
N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide
CID 132591041
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
4-[3-chloro-4-(4-chlorophenoxy)anilino]-4-oxobutanoic acid
CID 3746788
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
CID 60567457
3,5-dichloro-N-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]-2-hydroxybenzamide
CID 162650090

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate?
The IUPAC name of N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate (CID 23451831) is N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate.
What is the SMILES notation for N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate?
The canonical SMILES for N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate is Cc1ccc(Oc2ccc(NC(=O)[O-])cc2Cl)cc1.
What is the InChIKey of N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate?
The InChIKey is KJRDCBFJZMOODU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO3/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)15)16-14(17)18/h2-8,16H,1H3,(H,17,18)/p-1.
What are the key properties of N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate?
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate has a molecular weight of 276.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate is sourced from PubChem (CID 23451831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).