ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate

C18H20ClN3O3 — CID 60542440

IUPACethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O3/c1-3-25-18(24)22-16-10-8-14(9-11-16)20-12(2)17(23)21-15-6-4-13(19)5-7-15/h4-12,20H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWRJZDLSZRMVGDR-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.35
Rot. Bonds6

About ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate

ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 60542440) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID60542440
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Nameethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O3/c1-3-25-18(24)22-16-10-8-14(9-11-16)20-12(2)17(23)21-15-6-4-13(19)5-7-15/h4-12,20H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWRJZDLSZRMVGDR-UHFFFAOYSA-N
XLogP4.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542560
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate
CID 99794465
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 60542440) is ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is WRJZDLSZRMVGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-25-18(24)22-16-10-8-14(9-11-16)20-12(2)17(23)21-15-6-4-13(19)5-7-15/h4-12,20H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate?
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 361.83 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 60542440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).