N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide

C19H20Cl2N2O2 — CID 168639493

IUPACN-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=Cc2ccc(Cl)cc2)c(NCC(O)CCl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(24)23-17-9-6-15(19(10-17)22-12-18(25)11-20)5-2-14-3-7-16(21)8-4-14/h2-10,18,22,25H,11-12H2,1H3,(H,23,24)
InChIKeyGHZPKISGMANIIF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.48
Rot. Bonds7

About N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide

N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide (PubChem CID 168639493) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide
PubChem CID168639493
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=Cc2ccc(Cl)cc2)c(NCC(O)CCl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(24)23-17-9-6-15(19(10-17)22-12-18(25)11-20)5-2-14-3-7-16(21)8-4-14/h2-10,18,22,25H,11-12H2,1H3,(H,23,24)
InChIKeyGHZPKISGMANIIF-UHFFFAOYSA-N
XLogP4.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-chlorophenyl)ethenyl]-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]acetamide
CID 169345470
5-[(3-chloro-2-hydroxypropyl)amino]-2-[2-(4-chloro-2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 168639609
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide
CID 154354930
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 54777513
tert-butyl N-[4-bromo-3-[(3-chloro-2-hydroxypropyl)amino]phenyl]carbamate
CID 168640226
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
CID 21453600
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide (CID 168639493) is N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(C=Cc2ccc(Cl)cc2)c(NCC(O)CCl)c1.
What is the InChIKey of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?
The InChIKey is GHZPKISGMANIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(24)23-17-9-6-15(19(10-17)22-12-18(25)11-20)5-2-14-3-7-16(21)8-4-14/h2-10,18,22,25H,11-12H2,1H3,(H,23,24).
What are the key properties of N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide?
N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide has a molecular weight of 379.29 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-hydroxypropyl)amino]-4-[2-(4-chlorophenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 168639493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).