N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide

C19H24ClN3O2 — CID 109008840

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN3O2/c1-4-23(5-2)16-9-6-14(7-10-16)21-13-19(24)22-15-8-11-18(25-3)17(20)12-15/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyFXNQOMBDSJUXDG-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.25
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide (PubChem CID 109008840) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
PubChem CID109008840
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN3O2/c1-4-23(5-2)16-9-6-14(7-10-16)21-13-19(24)22-15-8-11-18(25-3)17(20)12-15/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyFXNQOMBDSJUXDG-UHFFFAOYSA-N
XLogP4.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide (CID 109008840) is N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide is CCN(CC)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide?
The InChIKey is FXNQOMBDSJUXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-4-23(5-2)16-9-6-14(7-10-16)21-13-19(24)22-15-8-11-18(25-3)17(20)12-15/h6-12,21H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide has a molecular weight of 361.87 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide is sourced from PubChem (CID 109008840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).