2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide

C14H20ClN3O2 — CID 43168459

IUPAC2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H20ClN3O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9,16H2,(H,17,19)
InChIKeySUJOGZISQGBPEC-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide

2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 43168459) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID43168459
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H20ClN3O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9,16H2,(H,17,19)
InChIKeySUJOGZISQGBPEC-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide (CID 43168459) is 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide is Nc1cc(Cl)ccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SUJOGZISQGBPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9,16H2,(H,17,19).
What are the key properties of 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 297.79 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 43168459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).