N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide

C18H20ClFN4O2 — CID 50959320

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide
SMILESCc1ccnc(NCCNC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H20ClFN4O2/c1-12-6-7-21-16(10-12)22-8-9-23-17(25)4-5-18(26)24-13-2-3-15(20)14(19)11-13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeySIWATNXIBIMZTB-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.13
Rot. Bonds8

About N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide

N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide (PubChem CID 50959320) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide
PubChem CID50959320
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide
SMILESCc1ccnc(NCCNC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H20ClFN4O2/c1-12-6-7-21-16(10-12)22-8-9-23-17(25)4-5-18(26)24-13-2-3-15(20)14(19)11-13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeySIWATNXIBIMZTB-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide 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

1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea
CID 42111663
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
3-[[4-(3-chloro-4-fluoroanilino)-4-oxobutanoyl]amino]propanoic acid
CID 50985332
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122314750

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide (CID 50959320) is N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide is Cc1ccnc(NCCNC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide?
The InChIKey is SIWATNXIBIMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c1-12-6-7-21-16(10-12)22-8-9-23-17(25)4-5-18(26)24-13-2-3-15(20)14(19)11-13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide has a molecular weight of 378.84 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide is sourced from PubChem (CID 50959320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).