N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide

C19H22ClN3O2 — CID 71897814

IUPACN-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-12(15-7-6-8-16(11-15)23-14(3)24)21-19(25)22-13(2)17-9-4-5-10-18(17)20/h4-13H,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeySXTTXMAIPVYGIF-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.42
Rot. Bonds5

About N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide

N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide (PubChem CID 71897814) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
PubChem CID71897814
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-12(15-7-6-8-16(11-15)23-14(3)24)21-19(25)22-13(2)17-9-4-5-10-18(17)20/h4-13H,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeySXTTXMAIPVYGIF-UHFFFAOYSA-N
XLogP4.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide (CID 71897814) is N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(=O)NC(C)c2ccccc2Cl)c1.
What is the InChIKey of N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide?
The InChIKey is SXTTXMAIPVYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12(15-7-6-8-16(11-15)23-14(3)24)21-19(25)22-13(2)17-9-4-5-10-18(17)20/h4-13H,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide?
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide has a molecular weight of 359.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 71897814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).