N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide

C19H21ClN2O3 — CID 108946631

IUPACN-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)25-16-9-7-15(8-10-16)22-19(24)11-18(23)21-12-14-5-3-4-6-17(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDQMNGHNWCVDETK-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.77
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide

N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108946631) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108946631
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)25-16-9-7-15(8-10-16)22-19(24)11-18(23)21-12-14-5-3-4-6-17(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDQMNGHNWCVDETK-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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

1-[(2-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100606891
2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136243
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 54789933
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
N'-(4-bromo-3-methylphenyl)-N-[(2-chlorophenyl)methyl]propanediamide
CID 108946659
2-(2-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7941085
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108954645

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide (CID 108946631) is N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccc(NC(=O)CC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is DQMNGHNWCVDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)25-16-9-7-15(8-10-16)22-19(24)11-18(23)21-12-14-5-3-4-6-17(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide?
N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 360.84 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108946631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).