(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid

C15H14ClNO3 — CID 90281986

IUPAC(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c16-14-8-13(7-6-12(14)9-17-15(18)19)20-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyUAVRVWBSZNVSKP-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.69
Rot. Bonds5

About (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid

(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid (PubChem CID 90281986) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
PubChem CID90281986
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c16-14-8-13(7-6-12(14)9-17-15(18)19)20-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyUAVRVWBSZNVSKP-UHFFFAOYSA-N
XLogP3.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
CID 3526755
2-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640
methyl (2S)-3-(2-chloro-4-phenylmethoxyphenyl)-2-ethoxypropanoate
CID 68616300
N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821696
N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
CID 16663789
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
CID 57138416
methyl 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22387793
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid?
The IUPAC name of (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid (CID 90281986) is (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid.
What is the SMILES notation for (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid?
The canonical SMILES for (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid is O=C(O)NCc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid?
The InChIKey is UAVRVWBSZNVSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-14-8-13(7-6-12(14)9-17-15(18)19)20-10-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid?
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid has a molecular weight of 291.73 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid is sourced from PubChem (CID 90281986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).