2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide

C19H21ClN2O3 — CID 42906301

IUPAC2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-11-21-19(24)16-9-4-5-10-17(16)22-18(23)13(2)25-15-8-6-7-14(20)12-15/h4-10,12-13H,3,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWXIBVYWJCZHHCZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.89
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide

2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide (PubChem CID 42906301) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
PubChem CID42906301
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-11-21-19(24)16-9-4-5-10-17(16)22-18(23)13(2)25-15-8-6-7-14(20)12-15/h4-10,12-13H,3,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWXIBVYWJCZHHCZ-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
CID 1313437
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
CID 120604154
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide (CID 42906301) is 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide?
The InChIKey is WXIBVYWJCZHHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-11-21-19(24)16-9-4-5-10-17(16)22-18(23)13(2)25-15-8-6-7-14(20)12-15/h4-10,12-13H,3,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide?
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 42906301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).