3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide

C17H20ClN3O2 — CID 143213390

IUPAC3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide
SMILESCOc1cccc(-c2cc(C(C)(CC(N)=O)NN)ccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-17(21-20,10-16(19)22)12-6-7-15(18)14(9-12)11-4-3-5-13(8-11)23-2/h3-9,21H,10,20H2,1-2H3,(H2,19,22)
InChIKeyOVROUODKQYZDGP-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.57
Rot. Bonds6

About 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide

3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide (PubChem CID 143213390) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide
PubChem CID143213390
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide
SMILESCOc1cccc(-c2cc(C(C)(CC(N)=O)NN)ccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-17(21-20,10-16(19)22)12-6-7-15(18)14(9-12)11-4-3-5-13(8-11)23-2/h3-9,21H,10,20H2,1-2H3,(H2,19,22)
InChIKeyOVROUODKQYZDGP-UHFFFAOYSA-N
XLogP2.57
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-3-[3-(3-methoxyphenyl)-4-methylphenyl]butanamide
CID 143213338
1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene
CID 82122933
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate
CID 44551915
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
3-chloro-4-fluoro-5-(3-methoxyphenyl)aniline
CID 165495622
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
2-[2-(3-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232932
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide?
The IUPAC name of 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide (CID 143213390) is 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide.
What is the SMILES notation for 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide?
The canonical SMILES for 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide is COc1cccc(-c2cc(C(C)(CC(N)=O)NN)ccc2Cl)c1.
What is the InChIKey of 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide?
The InChIKey is OVROUODKQYZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-17(21-20,10-16(19)22)12-6-7-15(18)14(9-12)11-4-3-5-13(8-11)23-2/h3-9,21H,10,20H2,1-2H3,(H2,19,22).
What are the key properties of 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide?
3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide has a molecular weight of 333.82 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide is sourced from PubChem (CID 143213390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).