5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide

C18H19ClN2O3 — CID 60571431

IUPAC5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)24-16-9-6-13(19)10-15(16)18(23)21-14-7-4-12(5-8-14)17(22)20-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyRPDAXWJJDGHRIJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide

5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 60571431) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID60571431
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)24-16-9-6-13(19)10-15(16)18(23)21-14-7-4-12(5-8-14)17(22)20-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyRPDAXWJJDGHRIJ-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 59265083
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
3-bromo-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28642963
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (CID 60571431) is 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is CNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)cc1.
What is the InChIKey of 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is RPDAXWJJDGHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11(2)24-16-9-6-13(19)10-15(16)18(23)21-14-7-4-12(5-8-14)17(22)20-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 60571431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).