[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate

C16H13Cl2NO5 — CID 2993167

IUPAC[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1OC(C)=O
InChIInChI=1S/C16H13Cl2NO5/c1-8(20)24-13-4-3-9(5-14(13)23-2)16(22)19-10-6-11(17)15(21)12(18)7-10/h3-7,21H,1-2H3,(H,19,22)
InChIKeySFBFKJBIFWQOIA-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.89
Rot. Bonds4

About [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate

[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate (PubChem CID 2993167) has the molecular formula C16H13Cl2NO5 and a molecular weight of 370.19 g/mol. Its IUPAC name is [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
PubChem CID2993167
Molecular FormulaC16H13Cl2NO5
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1OC(C)=O
InChIInChI=1S/C16H13Cl2NO5/c1-8(20)24-13-4-3-9(5-14(13)23-2)16(22)19-10-6-11(17)15(21)12(18)7-10/h3-7,21H,1-2H3,(H,19,22)
InChIKeySFBFKJBIFWQOIA-UHFFFAOYSA-N
XLogP3.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate
CID 126230266
3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5228987
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
2-[(4-acetyloxy-3-methoxybenzoyl)amino]-4-chloro-6-methylbenzoic acid
CID 143409821
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
CID 17313445
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate (CID 2993167) is [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate is COc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1OC(C)=O.
What is the InChIKey of [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate?
The InChIKey is SFBFKJBIFWQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO5/c1-8(20)24-13-4-3-9(5-14(13)23-2)16(22)19-10-6-11(17)15(21)12(18)7-10/h3-7,21H,1-2H3,(H,19,22).
What are the key properties of [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate?
[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate has a molecular weight of 370.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 2993167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).