N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide

C24H24ClN3O2 — CID 54815243

IUPACN-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C24H24ClN3O2/c1-17-21(25)11-6-12-22(17)26-16-24(30)28-20-10-5-9-19(15-20)27-23(29)14-13-18-7-3-2-4-8-18/h2-12,15,26H,13-14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXMPZHPCYOGWMTQ-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.27
Rot. Bonds8

About N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54815243) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54815243
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C24H24ClN3O2/c1-17-21(25)11-6-12-22(17)26-16-24(30)28-20-10-5-9-19(15-20)27-23(29)14-13-18-7-3-2-4-8-18/h2-12,15,26H,13-14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXMPZHPCYOGWMTQ-UHFFFAOYSA-N
XLogP5.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222861
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
CID 51132431

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54815243) is N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide is Cc1c(Cl)cccc1NCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is XMPZHPCYOGWMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-17-21(25)11-6-12-22(17)26-16-24(30)28-20-10-5-9-19(15-20)27-23(29)14-13-18-7-3-2-4-8-18/h2-12,15,26H,13-14,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 421.93 g/mol, XLogP of 5.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54815243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).