N-[4-(3,4-dichlorophenoxy)phenyl]carbamate

C13H8Cl2NO3- — CID 23451749

IUPACN-[4-(3,4-dichlorophenoxy)phenyl]carbamate
SMILESO=C([O-])Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H9Cl2NO3/c14-11-6-5-10(7-12(11)15)19-9-3-1-8(2-4-9)16-13(17)18/h1-7,16H,(H,17,18)/p-1
InChIKeyZMKSJNVGINZGKC-UHFFFAOYSA-M
MW297.12 g/mol
LogP3.54
Rot. Bonds3

About N-[4-(3,4-dichlorophenoxy)phenyl]carbamate

N-[4-(3,4-dichlorophenoxy)phenyl]carbamate (PubChem CID 23451749) has the molecular formula C13H8Cl2NO3- and a molecular weight of 297.12 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenoxy)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenoxy)phenyl]carbamate
PubChem CID23451749
Molecular FormulaC13H8Cl2NO3-
Molecular Weight297.12 g/mol
Exact Mass295.99
IUPAC NameN-[4-(3,4-dichlorophenoxy)phenyl]carbamate
SMILESO=C([O-])Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H9Cl2NO3/c14-11-6-5-10(7-12(11)15)19-9-3-1-8(2-4-9)16-13(17)18/h1-7,16H,(H,17,18)/p-1
InChIKeyZMKSJNVGINZGKC-UHFFFAOYSA-M
XLogP3.54
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
4-(3,4-dichloroanilino)-4-oxobut-2-enoate
CID 4065684
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
2-chloro-4-[4-(methylamino)phenoxy]benzamide
CID 62945399

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenoxy)phenyl]carbamate?
The IUPAC name of N-[4-(3,4-dichlorophenoxy)phenyl]carbamate (CID 23451749) is N-[4-(3,4-dichlorophenoxy)phenyl]carbamate.
What is the SMILES notation for N-[4-(3,4-dichlorophenoxy)phenyl]carbamate?
The canonical SMILES for N-[4-(3,4-dichlorophenoxy)phenyl]carbamate is O=C([O-])Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(3,4-dichlorophenoxy)phenyl]carbamate?
The InChIKey is ZMKSJNVGINZGKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9Cl2NO3/c14-11-6-5-10(7-12(11)15)19-9-3-1-8(2-4-9)16-13(17)18/h1-7,16H,(H,17,18)/p-1.
What are the key properties of N-[4-(3,4-dichlorophenoxy)phenyl]carbamate?
N-[4-(3,4-dichlorophenoxy)phenyl]carbamate has a molecular weight of 297.12 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenoxy)phenyl]carbamate is sourced from PubChem (CID 23451749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).