(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide

C17H16Cl3N3O3 — CID 30804766

IUPAC(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide
SMILESC[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H16Cl3N3O3/c1-9(11-3-5-13(18)15(20)7-11)21-10(2)17(24)22-16-8-12(23(25)26)4-6-14(16)19/h3-10,21H,1-2H3,(H,22,24)/t9-,10-/m1/s1
InChIKeyUUGQUGJNWVIDNO-NXEZZACHSA-N
MW416.69 g/mol
LogP5.23
Rot. Bonds6

About (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide

(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide (PubChem CID 30804766) has the molecular formula C17H16Cl3N3O3 and a molecular weight of 416.69 g/mol. Its IUPAC name is (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide
PubChem CID30804766
Molecular FormulaC17H16Cl3N3O3
Molecular Weight416.69 g/mol
Exact Mass415.03
IUPAC Name(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide
SMILESC[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H16Cl3N3O3/c1-9(11-3-5-13(18)15(20)7-11)21-10(2)17(24)22-16-8-12(23(25)26)4-6-14(16)19/h3-10,21H,1-2H3,(H,22,24)/t9-,10-/m1/s1
InChIKeyUUGQUGJNWVIDNO-NXEZZACHSA-N
XLogP5.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
(2S)-2-(3-acetylanilino)-N-(2-chloro-5-nitrophenyl)propanamide
CID 25340293
(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
CID 7830357
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 7986614
[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4527386
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 41093919
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
[(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 51466786
(2S)-N-(2-chloro-5-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 8933220

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide (CID 30804766) is (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide is C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide?
The InChIKey is UUGQUGJNWVIDNO-NXEZZACHSA-N. The full InChI is InChI=1S/C17H16Cl3N3O3/c1-9(11-3-5-13(18)15(20)7-11)21-10(2)17(24)22-16-8-12(23(25)26)4-6-14(16)19/h3-10,21H,1-2H3,(H,22,24)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide?
(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide has a molecular weight of 416.69 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 30804766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).