(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide

C21H19Cl2N3O2 — CID 52783528

IUPAC(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
SMILESC[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H19Cl2N3O2/c1-14(21(27)26-16-7-4-5-15(22)11-16)25-17-8-9-20(19(23)12-17)28-13-18-6-2-3-10-24-18/h2-12,14,25H,13H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyNCMLPWYLZXCKJP-CQSZACIVSA-N
MW416.31 g/mol
LogP5.41
Rot. Bonds7

About (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide

(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide (PubChem CID 52783528) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
PubChem CID52783528
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
SMILESC[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H19Cl2N3O2/c1-14(21(27)26-16-7-4-5-15(22)11-16)25-17-8-9-20(19(23)12-17)28-13-18-6-2-3-10-24-18/h2-12,14,25H,13H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyNCMLPWYLZXCKJP-CQSZACIVSA-N
XLogP5.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852
2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55796060
(2S)-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]oxirane-2-carboxamide
CID 42602304

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide (CID 52783528) is (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide is C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide?
The InChIKey is NCMLPWYLZXCKJP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c1-14(21(27)26-16-7-4-5-15(22)11-16)25-17-8-9-20(19(23)12-17)28-13-18-6-2-3-10-24-18/h2-12,14,25H,13H2,1H3,(H,26,27)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide?
(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide has a molecular weight of 416.31 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide is sourced from PubChem (CID 52783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).