N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide

C16H16Cl2N2O — CID 60790033

IUPACN-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-2-16(21)20-15-5-3-14(4-6-15)19-10-11-7-12(17)9-13(18)8-11/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyCXRHORUOAWVDCH-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide

N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide (PubChem CID 60790033) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
PubChem CID60790033
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-2-16(21)20-15-5-3-14(4-6-15)19-10-11-7-12(17)9-13(18)8-11/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyCXRHORUOAWVDCH-UHFFFAOYSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
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N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
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N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide
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N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide
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N-[4-(3,4-dichloroanilino)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide (CID 60790033) is N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide?
The InChIKey is CXRHORUOAWVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-16(21)20-15-5-3-14(4-6-15)19-10-11-7-12(17)9-13(18)8-11/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide?
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide has a molecular weight of 323.22 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 60790033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).