N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide

C17H15ClN2O4 — CID 4815395

IUPACN-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
SMILESCC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C17H15ClN2O4/c1-10(16(22)20-17(19)23)24-14-8-4-12(5-9-14)15(21)11-2-6-13(18)7-3-11/h2-10H,1H3,(H3,19,20,22,23)
InChIKeyCGJKBDHCUDFFSE-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.53
Rot. Bonds5

About N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide

N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide (PubChem CID 4815395) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
PubChem CID4815395
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC NameN-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
SMILESCC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C17H15ClN2O4/c1-10(16(22)20-17(19)23)24-14-8-4-12(5-9-14)15(21)11-2-6-13(18)7-3-11/h2-10H,1H3,(H3,19,20,22,23)
InChIKeyCGJKBDHCUDFFSE-UHFFFAOYSA-N
XLogP2.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 16540386
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide (CID 4815395) is N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide is CC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The InChIKey is CGJKBDHCUDFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-10(16(22)20-17(19)23)24-14-8-4-12(5-9-14)15(21)11-2-6-13(18)7-3-11/h2-10H,1H3,(H3,19,20,22,23).
What are the key properties of N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide has a molecular weight of 346.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide is sourced from PubChem (CID 4815395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).