4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide

C11H14Cl2N2O2 — CID 82832737

IUPAC4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
SMILESCC(O)CCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-6(16)2-3-15-11(17)7-4-8(12)10(14)9(13)5-7/h4-6,16H,2-3,14H2,1H3,(H,15,17)
InChIKeyYVRWNKZAPGRYHF-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide

4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide (PubChem CID 82832737) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
PubChem CID82832737
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
SMILESCC(O)CCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-6(16)2-3-15-11(17)7-4-8(12)10(14)9(13)5-7/h4-6,16H,2-3,14H2,1H3,(H,15,17)
InChIKeyYVRWNKZAPGRYHF-UHFFFAOYSA-N
XLogP2.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832892
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
CID 82833436
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide (CID 82832737) is 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide is CC(O)CCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide?
The InChIKey is YVRWNKZAPGRYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(16)2-3-15-11(17)7-4-8(12)10(14)9(13)5-7/h4-6,16H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide?
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide has a molecular weight of 277.15 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide is sourced from PubChem (CID 82832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).