methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate

C17H17Cl2N3O3 — CID 55819799

IUPACmethyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-22(10-11-4-3-5-14(18)15(11)19)16(23)20-12-6-8-13(9-7-12)21-17(24)25-2/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyXLOBUNWSAGVHEJ-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.84
Rot. Bonds4

About methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate

methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate (PubChem CID 55819799) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
PubChem CID55819799
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Namemethyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-22(10-11-4-3-5-14(18)15(11)19)16(23)20-12-6-8-13(9-7-12)21-17(24)25-2/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyXLOBUNWSAGVHEJ-UHFFFAOYSA-N
XLogP4.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
CID 55696349
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CID 55695253
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
(2,3-dichlorophenyl)methyl-methylcarbamic acid
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methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
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CID 11673101
N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
CID 55589948
tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 55561197
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
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CID 86837941

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate (CID 55819799) is methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
The InChIKey is XLOBUNWSAGVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-22(10-11-4-3-5-14(18)15(11)19)16(23)20-12-6-8-13(9-7-12)21-17(24)25-2/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate has a molecular weight of 382.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate is sourced from PubChem (CID 55819799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).