3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide

C20H22ClNO5 — CID 88538932

IUPAC3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C=O)c(O)c2)cc(Cl)c1OC(C)C
InChIInChI=1S/C20H22ClNO5/c1-11(2)26-18-8-14(7-16(21)19(18)27-12(3)4)20(25)22-15-6-5-13(10-23)17(24)9-15/h5-12,24H,1-4H3,(H,22,25)
InChIKeyCHICAQFORUBIMK-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.68
Rot. Bonds7

About 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide

3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide (PubChem CID 88538932) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
PubChem CID88538932
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
SMILESCC(C)Oc1cc(C(=O)Nc2ccc(C=O)c(O)c2)cc(Cl)c1OC(C)C
InChIInChI=1S/C20H22ClNO5/c1-11(2)26-18-8-14(7-16(21)19(18)27-12(3)4)20(25)22-15-6-5-13(10-23)17(24)9-15/h5-12,24H,1-4H3,(H,22,25)
InChIKeyCHICAQFORUBIMK-UHFFFAOYSA-N
XLogP4.68
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 67977848
4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
CID 67977734
3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
CID 88964633
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide
CID 161170611
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
propan-2-yl N-(3-chloro-4-formylphenyl)carbamate
CID 12553757
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide?
The IUPAC name of 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide (CID 88538932) is 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide.
What is the SMILES notation for 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide?
The canonical SMILES for 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide is CC(C)Oc1cc(C(=O)Nc2ccc(C=O)c(O)c2)cc(Cl)c1OC(C)C.
What is the InChIKey of 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide?
The InChIKey is CHICAQFORUBIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-11(2)26-18-8-14(7-16(21)19(18)27-12(3)4)20(25)22-15-6-5-13(10-23)17(24)9-15/h5-12,24H,1-4H3,(H,22,25).
What are the key properties of 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide?
3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide has a molecular weight of 391.85 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide is sourced from PubChem (CID 88538932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).