N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide

C19H19ClN2O3 — CID 108941138

IUPACN'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
SMILESO=C(CC(=O)NC1CC1)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-14-3-1-13(2-4-14)12-25-17-9-7-16(8-10-17)22-19(24)11-18(23)21-15-5-6-15/h1-4,7-10,15H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyLWPQFSALBSHDLC-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.53
Rot. Bonds7

About N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide (PubChem CID 108941138) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
PubChem CID108941138
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
SMILESO=C(CC(=O)NC1CC1)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-14-3-1-13(2-4-14)12-25-17-9-7-16(8-10-17)22-19(24)11-18(23)21-15-5-6-15/h1-4,7-10,15H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyLWPQFSALBSHDLC-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
CID 108992910
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247631
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006523
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide?
The IUPAC name of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide (CID 108941138) is N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide.
What is the SMILES notation for N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide?
The canonical SMILES for N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide is O=C(CC(=O)NC1CC1)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide?
The InChIKey is LWPQFSALBSHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-3-1-13(2-4-14)12-25-17-9-7-16(8-10-17)22-19(24)11-18(23)21-15-5-6-15/h1-4,7-10,15H,5-6,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide?
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide has a molecular weight of 358.83 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide is sourced from PubChem (CID 108941138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).