N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide

C20H24ClN3O2 — CID 54831228

IUPACN-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-6-19(25)24-16-9-10-17(21)18(13-16)23-14-20(26)22-12-11-15-7-4-3-5-8-15/h3-5,7-10,13,23H,2,6,11-12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyRKXAKYXIVOELJR-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.85
Rot. Bonds9

About N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide (PubChem CID 54831228) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide
PubChem CID54831228
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-6-19(25)24-16-9-10-17(21)18(13-16)23-14-20(26)22-12-11-15-7-4-3-5-8-15/h3-5,7-10,13,23H,2,6,11-12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyRKXAKYXIVOELJR-UHFFFAOYSA-N
XLogP3.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831420
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
N-[4-chloro-3-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]phenyl]butanamide
CID 54831206
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
CID 54842658
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
N-[4-chloro-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]butanamide
CID 54830975
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
N-[4-chloro-3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 112800272
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide (CID 54831228) is N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NCC(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide?
The InChIKey is RKXAKYXIVOELJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-6-19(25)24-16-9-10-17(21)18(13-16)23-14-20(26)22-12-11-15-7-4-3-5-8-15/h3-5,7-10,13,23H,2,6,11-12,14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide has a molecular weight of 373.88 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54831228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).