2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide

C19H23ClN2O2 — CID 27654549

IUPAC2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
SMILESCCOCCCNCc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-2-24-12-6-11-21-14-15-7-5-8-16(13-15)22-19(23)17-9-3-4-10-18(17)20/h3-5,7-10,13,21H,2,6,11-12,14H2,1H3,(H,22,23)
InChIKeySZPWXCRQZJNJFP-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.11
Rot. Bonds9

About 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide

2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide (PubChem CID 27654549) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
PubChem CID27654549
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
SMILESCCOCCCNCc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-2-24-12-6-11-21-14-15-7-5-8-16(13-15)22-19(23)17-9-3-4-10-18(17)20/h3-5,7-10,13,21H,2,6,11-12,14H2,1H3,(H,22,23)
InChIKeySZPWXCRQZJNJFP-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide
CID 26464004
2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
CID 31563304
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
2-chloro-N-[3-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]phenyl]benzamide
CID 7911899
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid
CID 120509484
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 55932677
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide (CID 27654549) is 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide is CCOCCCNCc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide?
The InChIKey is SZPWXCRQZJNJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-24-12-6-11-21-14-15-7-5-8-16(13-15)22-19(23)17-9-3-4-10-18(17)20/h3-5,7-10,13,21H,2,6,11-12,14H2,1H3,(H,22,23).
What are the key properties of 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide?
2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide has a molecular weight of 346.86 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 27654549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).