N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide

C24H23ClN2O2 — CID 1234574

IUPACN-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H23ClN2O2/c25-21-17-20(26-23(28)15-11-18-7-3-1-4-8-18)13-14-22(21)27-24(29)16-12-19-9-5-2-6-10-19/h1-10,13-14,17H,11-12,15-16H2,(H,26,28)(H,27,29)
InChIKeyRJDMWOWNZWGKRL-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.48
Rot. Bonds8

About N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide

N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide (PubChem CID 1234574) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
PubChem CID1234574
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H23ClN2O2/c25-21-17-20(26-23(28)15-11-18-7-3-1-4-8-18)13-14-22(21)27-24(29)16-12-19-9-5-2-6-10-19/h1-10,13-14,17H,11-12,15-16H2,(H,26,28)(H,27,29)
InChIKeyRJDMWOWNZWGKRL-UHFFFAOYSA-N
XLogP5.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
N-(4-carbamothioyl-2-chlorophenyl)-3-phenylpropanamide
CID 107808479
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
CID 113001262
N-[3-chloro-4-(1,3-diiminopropan-2-yl)phenyl]-3-phenylpropanamide
CID 123776383
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide (CID 1234574) is N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
The InChIKey is RJDMWOWNZWGKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-21-17-20(26-23(28)15-11-18-7-3-1-4-8-18)13-14-22(21)27-24(29)16-12-19-9-5-2-6-10-19/h1-10,13-14,17H,11-12,15-16H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide?
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide has a molecular weight of 406.91 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 1234574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).