N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide

C18H20ClN3O2 — CID 54835495

IUPACN-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-17(23)22-15-9-7-14(8-10-15)20-12-18(24)21-11-13-5-3-4-6-16(13)19/h3-10,20H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyMWARGUYSRRYKNZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.42
Rot. Bonds7

About N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide

N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835495) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835495
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-17(23)22-15-9-7-14(8-10-15)20-12-18(24)21-11-13-5-3-4-6-16(13)19/h3-10,20H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyMWARGUYSRRYKNZ-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
N-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835394
N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821696
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
CID 112982542
N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108946631
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide (CID 54835495) is N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is MWARGUYSRRYKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-17(23)22-15-9-7-14(8-10-15)20-12-18(24)21-11-13-5-3-4-6-16(13)19/h3-10,20H,2,11-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).