N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide

C14H14Cl2N2OS — CID 79420664

IUPACN-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-2-14(19)18-10-3-4-12(16)13(6-10)17-7-11-5-9(15)8-20-11/h3-6,8,17H,2,7H2,1H3,(H,18,19)
InChIKeyPGNRUQKOAQNYFT-UHFFFAOYSA-N
MW329.25 g/mol
LogP5.02
Rot. Bonds5

About N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide

N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide (PubChem CID 79420664) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
PubChem CID79420664
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC NameN-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-2-14(19)18-10-3-4-12(16)13(6-10)17-7-11-5-9(15)8-20-11/h3-6,8,17H,2,7H2,1H3,(H,18,19)
InChIKeyPGNRUQKOAQNYFT-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.25
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79419634
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
CID 43679042
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
CID 106885136
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 171686952
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide (CID 79420664) is N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NCc2cc(Cl)cs2)c1.
What is the InChIKey of N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
The InChIKey is PGNRUQKOAQNYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-2-14(19)18-10-3-4-12(16)13(6-10)17-7-11-5-9(15)8-20-11/h3-6,8,17H,2,7H2,1H3,(H,18,19).
What are the key properties of N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide has a molecular weight of 329.25 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 79420664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).